Geometry & MOs

Info

ID:	315315
PubChem CID:	126625554
Reduced:	SN5O5C19H23 (1)
Stoich.:	AB5C5D19E23 (1)
Weight, g/mol:	212.102414
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	11.4
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-4-(trifluoromethyl)hexanoic acid

Drug info:

PubChemData

Smile

CN1C(N[C@@]2(COCC3=C2C=C(C=C3)NC(=O)C4=NC=C(C=C4)OC)CS1(=O)=O)N

DOS

IR

Vibrations