Geometry & MOs

Info

ID:	84942
PubChem CID:	49870822
Reduced:	SeO2N3H19C25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	373.099731
ΔH_f, kcal/mol:	59.55
Dipole, Da:	5.11
IP(EA), eV:	-7.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-13-methyl-4-thiophen-3-yl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC3=C(NC(=CN3C2=O)C4=CC=C(C=C4)O)[Se]C5=CC=CC=C5

DOS

IR

Vibrations