Geometry & MOs

Info

ID:	128999
PubChem CID:	51065833
Reduced:	BrSN3O3C12H16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	346.99393
ΔH_f, kcal/mol:	-95.6
Dipole, Da:	4.02
IP(EA), eV:	-9.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCSC1=NC=C(C(=N1)C(=O)NCCC(=O)OC)Br

DOS

IR

Vibrations