Geometry & MOs

Info

ID:

89856

PubChem CID:

49965058

Reduced:

SO3N4H14C20 (1)

Stoich.:

AB3C4D14E20 (1)

Weight, g/mol:

435.055674

ΔHf, kcal/mol:

19.73

Dipole, Da:

4.57

IP(EA), eV:

 -8.56(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-amino-10-(4-chlorophenyl)-8-oxo-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

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N

DOS

IR

Vibrations