Geometry & MOs

Info

ID:	62200
PubChem CID:	26718083
Reduced:	SN4O7H20C22 (1)
Stoich.:	AB4C7D20E22 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	5.97
IP(EA), eV:	-8.91(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H](C)SCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations