Geometry & MOs

Info

ID:	413098
PubChem CID:	135086042
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	482.216535
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	4.55
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3E)-2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-1-phenyldiazenylbutyl]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)NN(CC#CC1=CSC=C1)C(=O)OC(C)C

DOS

IR

Vibrations