Geometry & MOs

Info

ID:	64205
PubChem CID:	29198314
Reduced:	SN3O3C24H32 (1)
Stoich.:	AB3C3D24E32 (1)
Weight, g/mol:	432.022994
ΔH_f, kcal/mol:	-71.87
Dipole, Da:	5.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.163722
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)[NH+]4CCCCC4

DOS

IR

Vibrations