Geometry & MOs

Info

ID:	179666
PubChem CID:	76518309
Reduced:	NSO7H19C20 (1)
Stoich.:	ABC7D19E20 (1)
Weight, g/mol:	515.158017
ΔH_f, kcal/mol:	-249.83
Dipole, Da:	6.5
IP(EA), eV:	-9.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[1-(4-hydroxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-3-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CSC(=O)OC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)OC)C(=O)O

DOS

IR

Vibrations