Geometry & MOs

Info

ID:	170711
PubChem CID:	75270994
Reduced:	ClFSO2N4C25H26 (1)
Stoich.:	ABCD2E4F25G26 (1)
Weight, g/mol:	500.144903
ΔH_f, kcal/mol:	-66.33
Dipole, Da:	10.02
IP(EA), eV:	-8.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2NC3C(C(=O)N2)SC=C3C4=CC=CC=C4)C(=O)NCC5=C(C=C(C=C5)F)Cl

DOS

IR

Vibrations