Geometry & MOs

Info

ID:	175720
PubChem CID:	75941640
Reduced:	SN2O2C24H24 (1)
Stoich.:	AB2C2D24E24 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	2.15
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-methyl-1-oxo-1-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)CNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations