Geometry & MOs

Info

ID:	125743
PubChem CID:	50936587
Reduced:	NO4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780714
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)[O-])NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations