Geometry & MOs

Info

ID:	122447
PubChem CID:	50807141
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	386.083747
ΔH_f, kcal/mol:	-126.09
Dipole, Da:	6.55
IP(EA), eV:	-8.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-naphthalen-1-yl-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)N2CCOC3=CC=CC=C3C2)C(=O)O

DOS

IR

Vibrations