Geometry & MOs

Info

ID:	62698
PubChem CID:	26736245
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	442.083472
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	6.0
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-ethoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)S[C@H](C(=O)N3)C

DOS

IR

Vibrations