Geometry & MOs

Info

ID:

89849

PubChem CID:

49965033

Reduced:

SO4N5H17C26 (1)

Stoich.:

AB4C5D17E26 (1)

Weight, g/mol:

401.094646

ΔHf, kcal/mol:

-4.53

Dipole, Da:

11.6

IP(EA), eV:

 -9.15(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-amino-8-oxo-10-phenyl-4-(prop-2-enylamino)-13-oxa-3-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-5,11-dicarbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)NC4=C3SC(=C4C#N)NC5=CC=CC=C5)N)C#N

DOS

IR

Vibrations