Geometry & MOs

Info

ID:

168701

PubChem CID:

75005536

Reduced:

S2O14N15C45H69 (1)

Stoich.:

A2B14C15D45E69 (1)

Weight, g/mol:

496.26136

ΔHf, kcal/mol:

-571.65

Dipole, Da:

6.88

IP(EA), eV:

 -8.73(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-carboxy-2-methyl-6-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)hexa-1,3-dien-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C2CCCN2C(=O)C(NC1=O)CC(=O)N)CCCN=C(N)N)CC(=O)O)CC3=CC=C(C=C3)OC)CCCCN)C(=O)N

DOS

IR

Vibrations