Geometry & MOs

Info

ID:	442273
PubChem CID:	135250923
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	846.249217
ΔH_f, kcal/mol:	-170.32
Dipole, Da:	3.22
IP(EA), eV:	-10.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[bis[2-methoxy-4-(3-methoxycarbonyl-2,4,6-trimethylanilino)phenyl]methyl]benzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)C\1(CN(C/C1=C\C#N)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations