Geometry & MOs

Info

ID:	123340
PubChem CID:	50843428
Reduced:	SF2N2O4H22C24 (1)
Stoich.:	AB2C2D4E22F24 (1)
Weight, g/mol:	472.193297
ΔH_f, kcal/mol:	-184.56
Dipole, Da:	5.14
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations