Geometry & MOs

Info

ID:	43782
PubChem CID:	10321784
Reduced:	FSN5O5C19H26 (1)
Stoich.:	ABC5D5E19F26 (1)
Weight, g/mol:	455.082092
ΔH_f, kcal/mol:	-174.46
Dipole, Da:	2.9
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-(1-oxo-1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCN([C@H](C1)C(=O)NO)S(=O)(=O)N2CCC(=CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations