Geometry & MOs

Info

ID:	194414
PubChem CID:	78532057
Reduced:	SCl2N2O3H12C18 (1)
Stoich.:	AB2C2D3E12F18 (1)
Weight, g/mol:	328.11063
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	6.92
IP(EA), eV:	-9.13(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-1-cyclopropylethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)C=CC(=O)OCC(=O)NC3=NC=C(C=C3)Cl)Cl

DOS

IR

Vibrations