Geometry & MOs

Info

ID:	288876
PubChem CID:	104327540
Reduced:	FSN2O3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-127.75
Dipole, Da:	4.56
IP(EA), eV:	-9.97(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluoro-2-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NCCC2=NC(=CS2)C(=O)O

DOS

IR

Vibrations