Geometry & MOs

Info

ID:	431472
PubChem CID:	135171553
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	391.07574
ΔH_f, kcal/mol:	-50.5
Dipole, Da:	6.54
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-[(5-chloro-2-methoxyphenyl)sulfanylamino]-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(NC(=NC2=O)C)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations