Geometry & MOs

Info

ID:	133665
PubChem CID:	51570707
Reduced:	SN5O6C15H18 (1)
Stoich.:	AB5C6D15E18 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	6.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757609
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-phenoxyphenyl)-3-(3-propan-2-yloxypropylamino)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)N[C@@H]2[C@H]3N(C2=O)[C@@H](C(S3)(C)C)C(=O)[O-]

DOS

IR

Vibrations