Geometry & MOs

Info

ID:	177844
PubChem CID:	76240894
Reduced:	BrO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	473.144299
ΔH_f, kcal/mol:	-2.51
Dipole, Da:	5.46
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-3-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1C(C(NC(=O)C1C#N)C)CCC(=O)NC2=CC=NN2CC3=CC=CC=C3Br

DOS

IR

Vibrations