Geometry & MOs

Info

ID:	220540
PubChem CID:	85197688
Reduced:	SN3O4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	325.225308
ΔH_f, kcal/mol:	-138.24
Dipole, Da:	5.12
IP(EA), eV:	-8.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-ethenyl-3,7-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-6-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)N=C([NH3+])N)CC2.CS(=O)(=O)[O-]

DOS

IR

Vibrations