Geometry & MOs

Info

ID:	14266
PubChem CID:	407403
Reduced:	SN3O4H29C32 (1)
Stoich.:	AB3C4D29E32 (1)
Weight, g/mol:	551.187878
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	8.11
IP(EA), eV:	-8.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)NC3=CC=CC=C3)(C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)O)O)N

DOS

IR

Vibrations