Geometry & MOs

Info

ID:	55924
PubChem CID:	17397465
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	397.163771
ΔH_f, kcal/mol:	39.4
Dipole, Da:	7.25
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diacetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC(C)(C#N)C3CC3)C

DOS

IR

Vibrations