Geometry & MOs

Info

ID:	38602
PubChem CID:	8137197
Reduced:	ClN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-121.84
Dipole, Da:	5.04
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NCC(=O)NC2CC2)Cl)OC

DOS

IR

Vibrations