Geometry & MOs

Info

ID:	26884
PubChem CID:	801999
Reduced:	SN2O4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	291.127072
ΔH_f, kcal/mol:	-114.78
Dipole, Da:	11.17
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-[(4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations