Geometry & MOs

Info

ID:	89845
PubChem CID:	49965013
Reduced:	SO2N3H13C19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	407.105211
ΔH_f, kcal/mol:	39.65
Dipole, Da:	5.68
IP(EA), eV:	-9.4(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-amino-10-(4-methoxyphenyl)-8-oxo-4-(prop-2-enylamino)-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(=CC=C1CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N)C(=O)O

DOS

IR

Vibrations