Geometry & MOs

Info

ID:	217831
PubChem CID:	85088449
Reduced:	Cl3N3H14C20 (1)
Stoich.:	A3B3C14D20 (1)
Weight, g/mol:	403.087829
ΔH_f, kcal/mol:	111.01
Dipole, Da:	0.66
IP(EA), eV:	-8.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 3-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2Cl)Cl)Cl)C=NC3=CC=CC=C3

DOS

IR

Vibrations