Geometry & MOs

Info

ID:	419790
PubChem CID:	135109063
Reduced:	FN6O7C36H45 (1)
Stoich.:	AB6C7D36E45 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-323.3
Dipole, Da:	2.12
IP(EA), eV:	-8.9(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC(=O)NC4=C3C=CC(=C4)F)C(C)C

DOS

IR

Vibrations