Geometry & MOs

Info

ID:	33370
PubChem CID:	7886101
Reduced:	OSN2F3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-136.96
Dipole, Da:	3.14
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-methylphenyl)methyl]-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations