Geometry & MOs

Info

ID:	66210
PubChem CID:	46500434
Reduced:	ClO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	451.108959
ΔH_f, kcal/mol:	2.47
Dipole, Da:	8.74
IP(EA), eV:	-8.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-9,10-dioxoanthracene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations