Geometry & MOs

Info

ID:	417310
PubChem CID:	135092029
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	359.086583
ΔH_f, kcal/mol:	-158.94
Dipole, Da:	3.05
IP(EA), eV:	-9.54(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations