Geometry & MOs

Info

ID:	242744
PubChem CID:	99205976
Reduced:	OS2N6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	441.219846
ΔH_f, kcal/mol:	100.88
Dipole, Da:	6.51
IP(EA), eV:	-8.85(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CCNC(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations