Geometry & MOs

Info

ID:	42031
PubChem CID:	8148197
Reduced:	SO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	12.59
Dipole, Da:	9.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.181963
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]amino]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

C[NH+](CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1)CC(=O)NC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations