Geometry & MOs

Info

ID:	39273
PubChem CID:	8140031
Reduced:	SN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-81.19
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003025
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-methylphenyl)sulfonylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations