Geometry & MOs

Info

ID:

227705

PubChem CID:

87562267

Reduced:

SO2N4C11H13 (2)

Stoich.:

AB2C4D11E13 (2)

Weight, g/mol:

557.292594

ΔHf, kcal/mol:

-39.3

Dipole, Da:

5.32

IP(EA), eV:

 -9.23(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[7,7-difluoro-5-methyl-9-[(3R)-3-methylcyclopentyl]-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]-3-methoxy-N-(1-methylpiperidin-4-yl)benzohydrazide

Drug info:

PubChemData

Smile

CC(C)N1N=C(N=N1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)NCCO

DOS

IR

Vibrations