Geometry & MOs

Info

ID:	192946
PubChem CID:	78326420
Reduced:	ClSN3O4C24H36 (1)
Stoich.:	ABC3D4E24F36 (1)
Weight, g/mol:	449.98044
ΔH_f, kcal/mol:	-186.28
Dipole, Da:	5.05
IP(EA), eV:	-9.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-chlorophenoxy)methyl]-5-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCCCCNC(=O)C1CNC2CCC(CC2C1=O)S(=O)(=O)N(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations