Geometry & MOs

Info

ID:	67636
PubChem CID:	46506864
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	512.22574
ΔH_f, kcal/mol:	-174.14
Dipole, Da:	5.85
IP(EA), eV:	-8.43(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=C(C=CS4)NC3=O)OC

DOS

IR

Vibrations