Geometry & MOs

Info

ID:	140881
PubChem CID:	52776197
Reduced:	OSN3C23H28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	393.187484
ΔH_f, kcal/mol:	22.38
Dipole, Da:	2.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.120563
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)CC2=CC=C(C=C2)C3=CSC(=N3)C)[NH+](C)C

DOS

IR

Vibrations