Geometry & MOs

Info

ID:	138248
PubChem CID:	52333523
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	413.096476
ΔH_f, kcal/mol:	-34.75
Dipole, Da:	2.11
IP(EA), eV:	-8.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)CC(=O)N[C@H](C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations