Geometry & MOs

Info

ID:	231433
PubChem CID:	87573702
Reduced:	SO3N4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	5.65
IP(EA), eV:	-9.35(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-propan-2-yloctanoic acid

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=NC3=C(C=C2)N=C(S3)NC(=O)O

DOS

IR

Vibrations