Geometry & MOs

Info

ID:	420213
PubChem CID:	135111862
Reduced:	S2N6O8C29H42 (1)
Stoich.:	A2B6C8D29E42 (1)
Weight, g/mol:	309.076786
ΔH_f, kcal/mol:	-299.88
Dipole, Da:	7.31
IP(EA), eV:	-8.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(2-chloro-4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)NS(=O)(=O)N(C)C

DOS

IR

Vibrations