Geometry & MOs

Info

ID:	175037
PubChem CID:	75849007
Reduced:	ClS2N3O4C19H22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	419.211687
ΔH_f, kcal/mol:	-92.12
Dipole, Da:	3.99
IP(EA), eV:	-9.02(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-oxo-6-[(4-piperidin-1-ium-1-ylpiperidin-1-yl)methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(=NNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=C(S3)Cl

DOS

IR

Vibrations