Geometry & MOs

Info

ID:	81641
PubChem CID:	49854954
Reduced:	SN5O5C24H29 (1)
Stoich.:	AB5C5D24E29 (1)
Weight, g/mol:	278.061076
ΔH_f, kcal/mol:	-105.2
Dipole, Da:	4.79
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-chlorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)NC[C@@H](C(=O)NO)N4CCC(C4)N

DOS

IR

Vibrations