Geometry & MOs

Info

ID:	431464
PubChem CID:	135171545
Reduced:	ClSO2N5C16H16 (1)
Stoich.:	ABC2D5E16F16 (1)
Weight, g/mol:	374.060425
ΔH_f, kcal/mol:	25.24
Dipole, Da:	4.72
IP(EA), eV:	-8.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)Cl)SNC2=CC3=C(N=C2)OCCN=C3/C=C\N

DOS

IR

Vibrations