Geometry & MOs

Info

ID:	42105
PubChem CID:	8149192
Reduced:	OS2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	9.22
Dipole, Da:	4.27
IP(EA), eV:	-8.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylamino]benzoate

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)[C@@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

DOS

IR

Vibrations