Geometry & MOs

Info

ID:	39274
PubChem CID:	8140032
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	4.01
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations