Geometry & MOs

Info

ID:	302460
PubChem CID:	124361837
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	407.185649
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	4.14
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)O)NC(=O)NC1=CC=C(C=C1)CN2CCOCC2

DOS

IR

Vibrations