Geometry & MOs

Info

ID:	447124
PubChem CID:	135280470
Reduced:	SN2O4H22C25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-54.69
Dipole, Da:	6.23
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxynaphthalen-1-yl)-1-(1-prop-2-enoylazetidin-3-yl)indole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CN(C2=C1C=C(C=C2)C3=CC(=CC4=CC=CC=C43)O)C5CN(C5)C(=O)C=C

DOS

IR

Vibrations