Geometry & MOs

Info

ID:	39199
PubChem CID:	8139903
Reduced:	OSN2C19H25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	328.160935
ΔH_f, kcal/mol:	13.42
Dipole, Da:	2.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002747
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCSC2=CC=CC=C2

DOS

IR

Vibrations