Geometry & MOs

Info

ID:	42311
PubChem CID:	8149423
Reduced:	OS2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	15.53
Dipole, Da:	4.57
IP(EA), eV:	-8.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(4-propan-2-ylanilino)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CCN[C@H](C)C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

DOS

IR

Vibrations