Geometry & MOs

Info

ID:	310648
PubChem CID:	126584094
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	325.106256
ΔH_f, kcal/mol:	-56.88
Dipole, Da:	6.88
IP(EA), eV:	-8.12(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-7-nitro-4-pyridin-4-yl-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=C2SC)CCC(=O)O

DOS

IR

Vibrations