Geometry & MOs

Info

ID:	56196
PubChem CID:	17422503
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	4.93
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylimidazol-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OCC2=CC(=O)N3C4=C(CCCC4)SC3=N2

DOS

IR

Vibrations