Geometry & MOs

Info

ID:	42325
PubChem CID:	8149437
Reduced:	OS2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	387.104148
ΔH_f, kcal/mol:	30.31
Dipole, Da:	3.99
IP(EA), eV:	-8.7(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations