Geometry & MOs

Info

ID:	314999
PubChem CID:	126624151
Reduced:	SN3O3C29H41 (1)
Stoich.:	AB3C3D29E41 (1)
Weight, g/mol:	527.12198
ΔH_f, kcal/mol:	-109.05
Dipole, Da:	5.47
IP(EA), eV:	-8.71(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CN2CCC3=C(C2=O)C(=C(S3)[C@H](C)C4CCC(CC4)N5CC(C5)OC)C)OC)C

DOS

IR

Vibrations