Geometry & MOs

Info

ID:	417703
PubChem CID:	135102526
Reduced:	O4N5C31H43 (1)
Stoich.:	A4B5C31D43 (1)
Weight, g/mol:	325.076179
ΔH_f, kcal/mol:	-173.57
Dipole, Da:	6.92
IP(EA), eV:	-8.34(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(2,6-difluoro-3-methylbenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5CCC5)C(C)C

DOS

IR

Vibrations