Geometry & MOs

Info

ID:	270845
PubChem CID:	103638409
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	362.00328
ΔH_f, kcal/mol:	-82.45
Dipole, Da:	2.72
IP(EA), eV:	-8.64(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-2-methylpentanoate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SCCCCCO)C

DOS

IR

Vibrations