Geometry & MOs

Info

ID:	17560
PubChem CID:	504831
Reduced:	N3O9H35C36 (1)
Stoich.:	A3B9C35D36 (1)
Weight, g/mol:	653.23733
ΔH_f, kcal/mol:	-301.19
Dipole, Da:	3.25
IP(EA), eV:	-8.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-5-[(3,5-dihydroxynaphthalene-1-carbonyl)amino]-6-[2-(3,4-dihydroxyphenyl)ethylamino]-6-oxohexyl]-3,5-dihydroxynaphthalene-1-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC2=C(C=C(C=C2C(=O)NCCCC[C@@H](C(=O)NCCC3=CC(=C(C=C3)O)O)NC(=O)C4=CC(=CC5=C4C=CC=C5O)O)O)C(=C1)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC2=C(C=C(C=C2C(=O)NCCCC[C@@H](C(=O)NCCC3=CC(=C(C=C3)O)O)NC(=O)C4=CC(=CC5=C4C=CC=C5O)O)O)C(=C1)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):