Geometry & MOs

Info

ID:	175638
PubChem CID:	75929474
Reduced:	FO2N5C20H28 (1)
Stoich.:	AB2C5D20E28 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-92.79
Dipole, Da:	4.71
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)C3=NN(C(=O)CC3)C

DOS

IR

Vibrations