Geometry & MOs

Info

ID:	89965
PubChem CID:	49965638
Reduced:	N2O2H7C8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	453.147075
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	4.9
IP(EA), eV:	-8.58(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-amino-10-(3-ethoxy-4-propoxyphenyl)-4-(methylamino)-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

COC1=CC(=C(C=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N)OC

DOS

IR

Vibrations