Geometry & MOs

Info

ID:	47135
PubChem CID:	10529887
Reduced:	O3N4C28H40 (1)
Stoich.:	A3B4C28D40 (1)
Weight, g/mol:	517.229376
ΔH_f, kcal/mol:	-123.46
Dipole, Da:	2.78
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-[4-(trifluoromethyl)phenyl]sulfonimidoyl]methyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=NC=C2)NC(=O)C3CCC(CC3)CN

DOS

IR

Vibrations