Geometry & MOs

Info

ID:

307316

PubChem CID:

125299563

Reduced:

ClSO2N3H12C19 (1)

Stoich.:

ABC2D3E12F19 (1)

Weight, g/mol:

485.232599

ΔHf, kcal/mol:

36.44

Dipole, Da:

4.71

IP(EA), eV:

 -9.3(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-[[(2S)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-2,4-dimethyl-2H-pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C[C@@H](C(=O)N=C2C=C1)/C=C\3/C(=NC(=O)S3)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations