Geometry & MOs

Info

ID:	404386
PubChem CID:	135066081
Reduced:	BrClPN2O2H23C29 (1)
Stoich.:	ABCD2E2F23G29 (1)
Weight, g/mol:	461.071528
ΔH_f, kcal/mol:	7.39
Dipole, Da:	4.0
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Br)C(C3=CC=C(C=C3)Cl)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations