Geometry & MOs

Info

ID:	234381
PubChem CID:	92298300
Reduced:	SO4N5C28H35 (1)
Stoich.:	AB4C5D28E35 (1)
Weight, g/mol:	539.22024
ΔH_f, kcal/mol:	-121.27
Dipole, Da:	7.66
IP(EA), eV:	-8.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-(4-ethoxyphenyl)-5-N-[(1S)-1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

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

CCC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)OC)N(C2=CC=C(C=C2)C(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N

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

CCC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)OC)N(C2=CC=C(C=C2)C(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):