Geometry & MOs

Info

ID:

328345

PubChem CID:

126700768

Reduced:

SO3N7C27H31 (1)

Stoich.:

AB3C7D27E31 (1)

Weight, g/mol:

644.284614

ΔHf, kcal/mol:

-5.47

Dipole, Da:

4.94

IP(EA), eV:

 -9.88(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2E)-cyclooct-2-en-1-yl] N-[[5-[(2E)-2-[2-hydroxy-1-(7-methoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-2-yl)ethylidene]hydrazinyl]-5-oxopentanoyl]amino]carbamate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=NC=C(C=C1)CCC2=NC3=CN=C(N=C3N(C2=O)CC(C)C)C4=C(N=CN=C4C5CC5)C

DOS

IR

Vibrations