Geometry & MOs

Info

ID:	413425
PubChem CID:	135086374
Reduced:	SN2O8H22C26 (1)
Stoich.:	AB2C8D22E26 (1)
Weight, g/mol:	538.104601
ΔH_f, kcal/mol:	-201.67
Dipole, Da:	2.71
IP(EA), eV:	-8.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C=C2COC(=O)NOC(=O)C3=CC=C(C=C3)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations