Geometry & MOs

Info

ID:	394934
PubChem CID:	135024189
Reduced:	NSO8C32H33 (1)
Stoich.:	ABC8D32E33 (1)
Weight, g/mol:	581.187209
ΔH_f, kcal/mol:	-247.53
Dipole, Da:	5.03
IP(EA), eV:	-8.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[1-(4-methylphenyl)sulfonyl-2-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC(=C(C=C4)OC)OC)C(=O)OCC

DOS

IR

Vibrations