Geometry & MOs

Info

ID:	216668
PubChem CID:	85086582
Reduced:	SO3N4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	90.34
Dipole, Da:	3.41
IP(EA), eV:	-9.36(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)pent-2-enoate

Drug info:

PubChemData

Smile

C=CCN1C(=CSC1=NN=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations