Geometry & MOs

Info

ID:	193079
PubChem CID:	78339068
Reduced:	FN4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	439.138819
ΔH_f, kcal/mol:	11.45
Dipole, Da:	4.46
IP(EA), eV:	-8.45(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[1-(4-oxo-5-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl)ethylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC3CNNC3C4=CC=C(C=C4)F)C

DOS

IR

Vibrations