Geometry & MOs

Info

ID:	243983
PubChem CID:	99303108
Reduced:	SN3O3C26H35 (1)
Stoich.:	AB3C3D26E35 (1)
Weight, g/mol:	469.04933
ΔH_f, kcal/mol:	-123.44
Dipole, Da:	8.05
IP(EA), eV:	-8.87(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)CCCC3=CC=CS3

DOS

IR

Vibrations