Geometry & MOs

Info

ID:

184473

PubChem CID:

77165028

Reduced:

BN2O6C32H38 (1)

Stoich.:

AB2C6D32E38 (1)

Weight, g/mol:

400.163436

ΔHf, kcal/mol:

-135.55

Dipole, Da:

2.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753915

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-N-[3-[(4-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

[B]1C=CC=C1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations