Geometry & MOs

Info

ID:	394930
PubChem CID:	135024185
Reduced:	NSO5H25C28 (1)
Stoich.:	ABC5D25E28 (1)
Weight, g/mol:	549.160994
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	7.93
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-benzoyl-3-[1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)/C(=O)C

DOS

IR

Vibrations