Geometry & MOs

Info

ID:	305320
PubChem CID:	124767994
Reduced:	ClSN2O3H25C29 (1)
Stoich.:	ABC2D3E25F29 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-52.11
Dipole, Da:	3.76
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=C(C=C3)N4C(=O)[C@@H]5CC=CC[C@H]5C4=O

DOS

IR

Vibrations