Geometry & MOs

Info

ID:	68009
PubChem CID:	46507597
Reduced:	ClSN3O4H18C23 (1)
Stoich.:	ABC3D4E18F23 (1)
Weight, g/mol:	427.189592
ΔH_f, kcal/mol:	-60.95
Dipole, Da:	5.6
IP(EA), eV:	-9.11(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=NC(=O)C)C(=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl)COC(=O)C

DOS

IR

Vibrations