Geometry & MOs

Info

ID:	141037
PubChem CID:	52807523
Reduced:	OSN2H20C21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	395.060759
ΔH_f, kcal/mol:	37.35
Dipole, Da:	4.21
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC=C(C=C2)C(=O)NC3(CCC3)C4=CC=CC=C4

DOS

IR

Vibrations