Geometry & MOs

Info

ID:	347616
PubChem CID:	127272482
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-157.88
Dipole, Da:	4.11
IP(EA), eV:	-8.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2=CC=CC=C2S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations