Geometry & MOs

Info

ID:	166092
PubChem CID:	74636900
Reduced:	ClSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	443.090824
ΔH_f, kcal/mol:	-148.28
Dipole, Da:	4.08
IP(EA), eV:	-9.18(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1Cl)NC(=O)C2=CC=CO2

DOS

IR

Vibrations