Geometry & MOs

Info

ID:

49682

PubChem CID:

11533536

Reduced:

O2N6C27H30 (1)

Stoich.:

A2B6C27D30 (1)

Weight, g/mol:

507.134318

ΔHf, kcal/mol:

14.38

Dipole, Da:

4.41

IP(EA), eV:

 -9.07(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[acetyl-[2-(dimethylamino)ethyl]amino]-10-chloro-N-(diaminomethylidene)-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)CC3=CN=CN3CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations