Geometry & MOs

Info

ID:	449185
PubChem CID:	135296634
Reduced:	SO3C9H19 (2)
Stoich.:	AB3C9D19 (2)
Weight, g/mol:	411.105543
ΔH_f, kcal/mol:	-301.98
Dipole, Da:	2.71
IP(EA), eV:	-8.52(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-cyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOCCOCCOCCOCCSCC(C(CSC(C)(C)C)O)O

DOS

IR

Vibrations