Geometry & MOs

Info

ID:	68519
PubChem CID:	46508572
Reduced:	SO2N3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-8.5
Dipole, Da:	5.99
IP(EA), eV:	-8.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-(2-cyanoethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations