Geometry & MOs

Info

ID:	89862
PubChem CID:	49965076
Reduced:	ClO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	481.016701
ΔH_f, kcal/mol:	-45.18
Dipole, Da:	3.55
IP(EA), eV:	-9.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-amino-4-anilino-10-(2,4-dichlorophenyl)-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

CC1=C2C(C3=C(N=C(NC3=O)C)OC2=NN1C(=O)C)C4=CC=CC=C4Cl

DOS

IR

Vibrations