Geometry & MOs

Info

ID:	422546
PubChem CID:	135118019
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	339.050965
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	2.61
IP(EA), eV:	-9.81(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations