Geometry & MOs

Info

ID:	313341
PubChem CID:	126613900
Reduced:	SN3O3C4H13 (1)
Stoich.:	AB3C3D4E13 (1)
Weight, g/mol:	727.331624
ΔH_f, kcal/mol:	-128.66
Dipole, Da:	7.21
IP(EA), eV:	-9.39(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1E,6E)-7-[3,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]ethylcarbamic acid

Drug info:

PubChemData

Smile

C1CNCC[NH2+]1.NS(=O)(=O)[O-]

DOS

IR

Vibrations