Geometry & MOs

Info

ID:	63206
PubChem CID:	26750116
Reduced:	SN4O4C18H20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	426.103162
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	3.49
IP(EA), eV:	-8.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1,1-dioxothiolan-3-yl]-N'-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]acetohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(N2)S[C@@H](C)C(=O)NC(=O)NCC3=CC=CO3

DOS

IR

Vibrations