Geometry & MOs

Info

ID:	431407
PubChem CID:	135171482
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	374.060425
ΔH_f, kcal/mol:	-4.02
Dipole, Da:	4.8
IP(EA), eV:	-9.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)sulfanyl-9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)C=N)C(=O)N

DOS

IR

Vibrations