Geometry & MOs

Info

ID:	170708
PubChem CID:	75270306
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	480.199526
ΔH_f, kcal/mol:	-111.68
Dipole, Da:	6.64
IP(EA), eV:	-8.67(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2C(C(NN2)C)C(=O)NC3=CC=CC(=C3)C(C)C

DOS

IR

Vibrations