Geometry & MOs

Info

ID:	283372
PubChem CID:	103978073
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-108.61
Dipole, Da:	7.29
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C=CCSC1=CC=CC=C1NC(=O)C2CCCC2C(=O)O

DOS

IR

Vibrations