Geometry & MOs

Info

ID:	426748
PubChem CID:	135153689
Reduced:	ClF2S2N3O3H8C11 (1)
Stoich.:	AB2C2D3E3F8G11 (1)
Weight, g/mol:	454.40221
ΔH_f, kcal/mol:	-147.54
Dipole, Da:	6.21
IP(EA), eV:	-9.85(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-3-(2-methylpropoxycarbonyl)-2-(2-methylpropyl)heptadecanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)NC(=O)C2=C(N=NS2)C(F)F)Cl

DOS

IR

Vibrations