Geometry & MOs

Info

ID:	220670
PubChem CID:	85201815
Reduced:	SiN3O6C29H39 (1)
Stoich.:	AB3C6D29E39 (1)
Weight, g/mol:	575.170234
ΔH_f, kcal/mol:	-287.51
Dipole, Da:	4.35
IP(EA), eV:	-9.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,5,5-trifluoro-3-hydroxy-4-[2-[[5,5,5-trifluoro-3-hydroxy-4-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoylamino]pentanoate

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

CC1CN(C(=O)NC1=O)C2CC(C(O2)C(CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)N)OC(=O)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

CC1CN(C(=O)NC1=O)C2CC(C(O2)C(CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)N)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):