Geometry & MOs

Info

ID:	194592
PubChem CID:	78559228
Reduced:	OSF2N4C17H20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	418.149718
ΔH_f, kcal/mol:	-87.91
Dipole, Da:	6.14
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-methylbutan-2-yl)-2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC(=O)CSC2=NN=C3N2CCCCC3

DOS

IR

Vibrations