Geometry & MOs

Info

ID:	429593
PubChem CID:	135169642
Reduced:	SO2N3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	492.13824
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	3.2
IP(EA), eV:	-8.45(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyano-6-[(Z)-N'-(methyldiazenyl)carbamimidoyl]pyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2CCCS2=O)NO

DOS

IR

Vibrations