Geometry & MOs

Info

ID:	162161
PubChem CID:	57393802
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	5.98
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

C=CCOC(=O)N1CC2=C(C[C@H]1C(=O)O)C3=CC=CC=C3N2

DOS

IR

Vibrations