Geometry & MOs

Info

ID:	157275
PubChem CID:	56422491
Reduced:	SO3N4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	424.153541
ΔH_f, kcal/mol:	-23.5
Dipole, Da:	5.15
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-cyanophenyl)phenyl]methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations