Geometry & MOs

Info

ID:	156420
PubChem CID:	56370528
Reduced:	S2O3N5C24H29 (1)
Stoich.:	A2B3C5D24E29 (1)
Weight, g/mol:	445.097538
ΔH_f, kcal/mol:	-60.27
Dipole, Da:	6.8
IP(EA), eV:	-8.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-nitrophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations