Geometry & MOs

Info

ID:	243913
PubChem CID:	99300595
Reduced:	OSN4C24H24 (1)
Stoich.:	ABC4D24E24 (1)
Weight, g/mol:	426.037581
ΔH_f, kcal/mol:	52.09
Dipole, Da:	3.17
IP(EA), eV:	-8.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)CC(=O)NC3=NC4=C(S3)CN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations