Geometry & MOs

Info

ID:	271590
PubChem CID:	103684978
Reduced:	NOSC16H21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	357.03981
ΔH_f, kcal/mol:	-18.32
Dipole, Da:	2.71
IP(EA), eV:	-8.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]-2-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C(CO)SC)NCC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations