Geometry & MOs

Info

ID:	315008
PubChem CID:	126624166
Reduced:	BrSN2O3C19H29 (1)
Stoich.:	ABC2D3E19F29 (1)
Weight, g/mol:	527.12198
ΔH_f, kcal/mol:	-91.8
Dipole, Da:	4.77
IP(EA), eV:	-8.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N2CC(C2)OC)C3=C(C(=C(S3)Br)C(=O)OC)C

DOS

IR

Vibrations