Geometry & MOs

Info

ID:	49223
PubChem CID:	11532040
Reduced:	FNOC7H10 (3)
Stoich.:	ABCD7E10 (3)
Weight, g/mol:	429.160994
ΔH_f, kcal/mol:	-311.28
Dipole, Da:	7.85
IP(EA), eV:	-9.44(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2E)-2-(benzenesulfonyl)-2-[(4R,5R)-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CC(C)[C@]1(CC[C@@H](C1)NC2CCOCC2)C(=O)NCC3=CC(=CC(=O)N3)C(F)(F)F

DOS

IR

Vibrations