Geometry & MOs

Info

ID:	217918
PubChem CID:	85088592
Reduced:	PS2O3N4C16H21 (1)
Stoich.:	AB2C3D4E16F21 (1)
Weight, g/mol:	412.209718
ΔH_f, kcal/mol:	-115.47
Dipole, Da:	5.44
IP(EA), eV:	-9.4(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(4-acetyloxy-3-methylbut-2-enyl)-2-[4-(oxan-2-yloxy)but-2-enyl]propanedioate

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)SC1=NN=C(C(=O)N1N=C(C)C2=CC=CC=C2)C

DOS

IR

Vibrations