Geometry & MOs

Info

ID:	308358
PubChem CID:	125326333
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	91.07
Dipole, Da:	2.7
IP(EA), eV:	-8.41(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-2,3-dimethyloctoxy]carbonylbenzoic acid

Drug info:

PubChemData

Smile

CCS[C@@H]1NN=C(N1C2=CC=C(C=C2)OC)C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations