Geometry & MOs

Info

ID:	39071
PubChem CID:	8139620
Reduced:	O2N4C19H21 (1)
Stoich.:	A2B4C19D21 (1)
Weight, g/mol:	342.176585
ΔH_f, kcal/mol:	12.19
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997800
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations