Geometry & MOs

Info

ID:	404891
PubChem CID:	135071670
Reduced:	N2O3H22C27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	448.130422
ΔH_f, kcal/mol:	27.94
Dipole, Da:	2.17
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methylhept-5-en-2-yl-(4-nitrophenyl)sulfonylamino] phenyl carbonate

Drug info:

PubChemData

Smile

C#CCN(C(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations