Geometry & MOs

Info

ID:	442019
PubChem CID:	135248000
Reduced:	OSN4C19H30 (1)
Stoich.:	ABC4D19E30 (1)
Weight, g/mol:	517.133924
ΔH_f, kcal/mol:	2.97
Dipole, Da:	5.9
IP(EA), eV:	-8.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-[(2-cyanophenyl)methyl]-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCCCCCNC1=NC2=C(C(=C)N1C)SC=C2C(=C)NCCOC

DOS

IR

Vibrations