Geometry & MOs

Info

ID:	149622
PubChem CID:	53789296
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	375.131586
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	3.85
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(3,5-difluorophenyl)prop-2-enyl-methylsulfonylamino]heptanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1S)NC(=O)N)CN(C)C

DOS

IR

Vibrations