Geometry & MOs

Info

ID:	442266
PubChem CID:	135250900
Reduced:	ON2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	862.299145
ΔH_f, kcal/mol:	-56.4
Dipole, Da:	5.08
IP(EA), eV:	-9.28(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[4-[2,6-di(propan-2-yl)-4-sulfoanilino]-2-methylphenyl]-(2-sulfophenyl)methyl]-3-methylanilino]-3,5-di(propan-2-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC12CNC[C@H]1CCNC2=O

DOS

IR

Vibrations