Geometry & MOs

Info

ID:	129730
PubChem CID:	51073659
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	2.63
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)NC(=O)C3=CC(=CN3)C(=O)C

DOS

IR

Vibrations