Geometry & MOs

Info

ID:	89950
PubChem CID:	49965576
Reduced:	SO3N4H20C25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	398.102431
ΔH_f, kcal/mol:	48.87
Dipole, Da:	8.14
IP(EA), eV:	-9.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N

DOS

IR

Vibrations