Geometry & MOs

Info

ID:	283371
PubChem CID:	103977954
Reduced:	ClNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	-132.54
Dipole, Da:	7.56
IP(EA), eV:	-9.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-prop-2-enylsulfanylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)Cl)C(=O)C2CCCC2C(=O)O

DOS

IR

Vibrations