Geometry & MOs

Info

ID:

89835

PubChem CID:

49964936

Reduced:

ClOSN4H13C19 (1)

Stoich.:

ABCD4E13F19 (1)

Weight, g/mol:

417.046252

ΔHf, kcal/mol:

73.18

Dipole, Da:

1.33

IP(EA), eV:

 -9.14(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-amino-10-(2-chloro-6-fluorophenyl)-4-(ethylamino)-8-oxo-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N)Cl

DOS

IR

Vibrations