Geometry & MOs

Info

ID:	39353
PubChem CID:	8140447
Reduced:	N2O2C22H27 (1)
Stoich.:	A2B2C22D27 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-21.06
Dipole, Da:	4.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995354
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonamido)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NCC3=CC=CC=C3C[NH+](C)C)C

DOS

IR

Vibrations