Geometry & MOs

Info

ID:	157692
PubChem CID:	56436517
Reduced:	SO2N5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	459.22704
ΔH_f, kcal/mol:	-34.52
Dipole, Da:	6.17
IP(EA), eV:	-8.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[[[4-(phenylcarbamoyl)phenyl]carbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(S1)C=C(C=C2)NC(=O)NCC3=CC(=CC=C3)C(=O)NCCN(C)C

DOS

IR

Vibrations