Geometry & MOs

Info

ID:	423016
PubChem CID:	135118766
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	365.111067
ΔH_f, kcal/mol:	-38.53
Dipole, Da:	4.32
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(3,4,5-trimethoxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)C(=O)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations