Geometry & MOs

Info

ID:	145535
PubChem CID:	53540903
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	506.17879
ΔH_f, kcal/mol:	-77.22
Dipole, Da:	2.91
IP(EA), eV:	-8.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=NC=CN=C2N)C(=O)N

DOS

IR

Vibrations