Geometry & MOs

Info

ID:	168695
PubChem CID:	75003871
Reduced:	NSO5H17C19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	463.085432
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	3.13
IP(EA), eV:	-9.07(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-(6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C=C3C(=O)NC(=O)S3)O

DOS

IR

Vibrations