Geometry & MOs

Info

ID:	86485
PubChem CID:	49886053
Reduced:	O3S3N4C25H30 (1)
Stoich.:	A3B3C4D25E30 (1)
Weight, g/mol:	505.127603
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	6.49
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylsulfamoyl)phenyl]-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC)CSC4=CC=CC=C4

DOS

IR

Vibrations