Geometry & MOs

Info

ID:	242742
PubChem CID:	99205968
Reduced:	BrN2O2S2H19C21 (1)
Stoich.:	AB2C2D2E19F21 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	5.36
IP(EA), eV:	-9.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)CSCC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations