Geometry & MOs

Info

ID:	186583
PubChem CID:	77447880
Reduced:	Si2O5N7C39H63 (1)
Stoich.:	A2B5C7D39E63 (1)
Weight, g/mol:	615.410818
ΔH_f, kcal/mol:	-224.24
Dipole, Da:	2.37
IP(EA), eV:	-8.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 2-amino-3-[4-[6-[(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)carbamoylamino]hexylcarbamoylamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=C)C1=C(N2C(=C(C=N2)C3=CN=C(C=C3)N)N=C1C4CC5CCC(C4)N5C(=O)OC(C)(C)C)N(COCC[Si](C)(C)C)COCC[Si](C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=C)C1=C(N2C(=C(C=N2)C3=CN=C(C=C3)N)N=C1C4CC5CCC(C4)N5C(=O)OC(C)(C)C)N(COCC[Si](C)(C)C)COCC[Si](C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):