Geometry & MOs

Info

ID:	62693
PubChem CID:	26736234
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	456.099122
ΔH_f, kcal/mol:	-158.47
Dipole, Da:	6.94
IP(EA), eV:	-8.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-ethoxyphenyl)carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C(=CC(=C3C)C)C)C

DOS

IR

Vibrations