Geometry & MOs

Info

ID:	168379
PubChem CID:	74959798
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	390.186481
ΔH_f, kcal/mol:	-90.43
Dipole, Da:	5.37
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-cyclohex-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1N=CC2=C3C(C(C(N3)CO)O)O

DOS

IR

Vibrations