Geometry & MOs

Info

ID:	271468
PubChem CID:	103680225
Reduced:	NOSF3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-197.02
Dipole, Da:	2.95
IP(EA), eV:	-8.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[ethyl(phenylmethoxycarbonyl)amino]-3-methylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCSC)NCC1=CC(=CC=C1)OC(F)(F)F

DOS

IR

Vibrations