Geometry & MOs

Info

ID:	245101
PubChem CID:	99437474
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	3.96
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[2-(3-methylindol-1-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)NC(=O)[C@H]3CSC4=CC=CC=C4O3)C(=O)N

DOS

IR

Vibrations