Geometry & MOs

Info

ID:	214217
PubChem CID:	84974659
Reduced:	SO2N3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	418.140783
ΔH_f, kcal/mol:	-56.2
Dipole, Da:	3.16
IP(EA), eV:	-7.68(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-nitrophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations