Geometry & MOs

Info

ID:	135328
PubChem CID:	51852324
Reduced:	FN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	355.13322
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.912467
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]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)NC3=NN(C=C3)CC4=CC=C(C=C4)F)C(=O)[O-]

DOS

IR

Vibrations