Geometry & MOs

Info

ID:	82277
PubChem CID:	49855839
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	695.614495
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	8.3
IP(EA), eV:	-9.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hexadecanoyloxy-2-(113C)octanoyloxypropyl) hexadecanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)NO

DOS

IR

Vibrations