Geometry & MOs

Info

ID:	394929
PubChem CID:	135024184
Reduced:	NSO4H23C27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	487.145344
ΔH_f, kcal/mol:	-67.82
Dipole, Da:	5.82
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[[1-(4-methylphenyl)sulfonyl-2-phenylindol-3-yl]methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C=C(C(=O)C)C(=O)C

DOS

IR

Vibrations