Geometry & MOs

Info

ID:	182437
PubChem CID:	76888940
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	398.123504
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	5.1
IP(EA), eV:	-8.39(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-benzylimidazol-2-yl)methyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]tridec-1(9)-en-3-one

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)C(C)NC(=O)CC2C=C3C=CC=CC3=NC2=O)OC

DOS

IR

Vibrations