Geometry & MOs

Info

ID:	62821
PubChem CID:	26737019
Reduced:	SN3O6H14C17 (1)
Stoich.:	AB3C6D14E17 (1)
Weight, g/mol:	492.120252
ΔH_f, kcal/mol:	-176.53
Dipole, Da:	4.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.838113
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CNC3=[N+](C2=O)C=CS3)C(=O)OC

DOS

IR

Vibrations