Geometry & MOs

Info

ID:	143437
PubChem CID:	53208928
Reduced:	FSN2O2C27H27 (1)
Stoich.:	ABC2D2E27F27 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	3.82
IP(EA), eV:	-8.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methoxyphenyl)methylamino]methyl]-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)F)C(=O)O)CNCCC4=CC=C(C=C4)SC

DOS

IR

Vibrations