Geometry & MOs

Info

ID:	140272
PubChem CID:	52672497
Reduced:	SN4O6H21C22 (1)
Stoich.:	AB4C6D21E22 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	-116.17
Dipole, Da:	11.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781329
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl(methyl)amino]-N-[(2R)-3-methyl-2-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N/C(=C(\C#N)/C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)/[O-]

DOS

IR

Vibrations