Geometry & MOs

Info

ID:	78856
PubChem CID:	49738088
Reduced:	ClSO3N4C18H21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	379.086974
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	3.55
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(5-chloropyridin-2-yl)amino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)CC2=CSC(=N2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations