Geometry & MOs

Info

ID:	415112
PubChem CID:	135088098
Reduced:	ClO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	415.143116
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	3.31
IP(EA), eV:	-9.31(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC2=CC(=O)N3C=C(C=CC3=N2)Cl)O)CC4=CC=NC=C4

DOS

IR

Vibrations