Geometry & MOs

Info

ID:	196777
PubChem CID:	78876977
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	4.6
IP(EA), eV:	-9.28(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CS(=O)(=O)CC1=NC=CN1CC2=CC=CC=C2

DOS

IR

Vibrations