Geometry & MOs

Info

ID:	133710
PubChem CID:	51577920
Reduced:	N3O6H21C25 (1)
Stoich.:	A3B6C21D25 (1)
Weight, g/mol:	500.188212
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	7.28
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-amino-4-N-(2,6-dimethylphenyl)-2-N-(2-ethoxyphenyl)-5-phenylimino-2H-thiophene-2,4-dicarboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations