Geometry & MOs

Info

ID:	49366
PubChem CID:	11532922
Reduced:	BrN2S2O3C19H23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	471.168188
ΔH_f, kcal/mol:	-81.04
Dipole, Da:	5.43
IP(EA), eV:	-9.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N(CC2=CC=C(C=C2)Br)[C@@H]3CCCCNC3=O

DOS

IR

Vibrations