Geometry & MOs

Info

ID:	413424
PubChem CID:	135086373
Reduced:	SCl2N2O6H16C23 (1)
Stoich.:	AB2C2D6E16F23 (1)
Weight, g/mol:	522.109687
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	4.7
IP(EA), eV:	-8.89(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[[1-(benzenesulfonyl)-5-methylindol-3-yl]methoxycarbonylamino] 1-O-methyl benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)COC(=O)NOC(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations