Geometry & MOs

Info

ID:	42089
PubChem CID:	8149168
Reduced:	ClOSN3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	380.164402
ΔH_f, kcal/mol:	22.52
Dipole, Da:	2.26
IP(EA), eV:	-8.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations