Geometry & MOs

Info

ID:	10650
PubChem CID:	106061
Reduced:	SN3O5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	451.120192
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	2.69
IP(EA), eV:	-8.15(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-4-[4-[(dimethylamino)methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

DOS

IR

Vibrations