Geometry & MOs

Info

ID:	419116
PubChem CID:	135107535
Reduced:	FO4N5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	379.126717
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	2.26
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1=NC(=NO1)CN(C)C(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations