Geometry & MOs

Info

ID:	77682
PubChem CID:	49658635
Reduced:	O2S2N5H19C24 (1)
Stoich.:	A2B2C5D19E24 (1)
Weight, g/mol:	490.149718
ΔH_f, kcal/mol:	65.91
Dipole, Da:	5.26
IP(EA), eV:	-9.25(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C#N)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations