Geometry & MOs

Info

ID:	62320
PubChem CID:	26719222
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	-38.35
Dipole, Da:	6.41
IP(EA), eV:	-8.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C

DOS

IR

Vibrations