Geometry & MOs

Info

ID:	165382
PubChem CID:	74543095
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	444.114378
ΔH_f, kcal/mol:	37.34
Dipole, Da:	8.6
IP(EA), eV:	-8.72(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl)methyl 3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC(=C)C4=N3

DOS

IR

Vibrations