Geometry & MOs

Info

ID:	449348
PubChem CID:	135297845
Reduced:	NO2C17H31 (1)
Stoich.:	AB2C17D31 (1)
Weight, g/mol:	674.24756
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	3.24
IP(EA), eV:	-9.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[2-(2-methylpropanoyloxy)ethyl] 3-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-acetyl-6-[[4-[4-(methylamino)phenoxy]phenyl]carbamoyl]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCC1(C=C(C(N1O)(CC)CC)C(=O)C(C)(C)C)CC

DOS

IR

Vibrations