Geometry & MOs

Info

ID:	79795
PubChem CID:	49830445
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	454.175339
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	2.57
IP(EA), eV:	-8.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)C2=CC3=C(C=C2)NN=C3N

DOS

IR

Vibrations