Geometry & MOs

Info

ID:	69379
PubChem CID:	46530900
Reduced:	FSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	430.123025
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	2.77
IP(EA), eV:	-8.19(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(=O)N(C)CCOC2=CC=CC=C2F)C)C3=CSC(=N3)C

DOS

IR

Vibrations