Geometry & MOs

Info

ID:	128998
PubChem CID:	51065832
Reduced:	BrSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	361.00958
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	3.37
IP(EA), eV:	-9.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-bromo-2-propylsulfanylpyrimidine-4-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCSC1=NC=C(C(=N1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)Br

DOS

IR

Vibrations