Geometry & MOs

Info

ID:	404416
PubChem CID:	135066271
Reduced:	BrNO6H26C28 (1)
Stoich.:	ABC6D26E28 (1)
Weight, g/mol:	445.076613
ΔH_f, kcal/mol:	-184.21
Dipole, Da:	5.16
IP(EA), eV:	-9.64(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4R,5S)-1-(benzenesulfonyl)-5-(3-methylphenyl)-2-sulfanylideneimidazolidine-4-carbonyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1(C2=C(C=CC(=C2)Br)C(=O)O1)[C@H](C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations