Geometry & MOs

Info

ID:	442262
PubChem CID:	135250887
Reduced:	SN4O5C42H48 (1)
Stoich.:	AB4C5D42E48 (1)
Weight, g/mol:	764.145815
ΔH_f, kcal/mol:	-136.08
Dipole, Da:	8.17
IP(EA), eV:	-8.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[bis[2-methoxy-4-[(4-nitrophenyl)methylamino]phenyl]methyl]benzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC2=CC(=C(C=C2)C(C3=C(C=C(C=C3)NCC4=CC=CC=C4)O)C5=C(C=C(C=C5)NCC6=CC=CC=C6)O)S(=O)(=O)O)C

DOS

IR

Vibrations