Geometry & MOs

Info

ID:

175944

PubChem CID:

75971122

Reduced:

N10O11C58H82 (1)

Stoich.:

A10B11C58D82 (1)

Weight, g/mol:

412.131074

ΔHf, kcal/mol:

-385.46

Dipole, Da:

10.56

IP(EA), eV:

 -8.85(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(2,4-dimethylphenyl)-3-oxoprop-1-enyl]-7-hydroxy-4-methyl-2-oxobenzo[h]chromene-8-carbaldehyde

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C3=CNC(C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)N5CCCC5C(=O)N3)CC6=CC=CC=C6)C(C)C)C(C)C

DOS

IR

Vibrations