Geometry & MOs

Info

ID:	162815
PubChem CID:	57570991
Reduced:	BrO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	386.169785
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	1.26
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2,6-bis(hydroxymethyl)pyridin-4-yl]propyl]-N,4-dimethyl-4-(methyldisulfanyl)pentanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)OC)OCBr

DOS

IR

Vibrations