Geometry & MOs

Info

ID:	245095
PubChem CID:	99437452
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	491.199111
ΔH_f, kcal/mol:	5.25
Dipole, Da:	5.7
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[4-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]phenyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CCN(C2=CC=CC=C2)C(=O)C3=CN4C=CN=C4C=C3

DOS

IR

Vibrations