Geometry & MOs

Info

ID:	326505
PubChem CID:	126687687
Reduced:	SN2F3O4H27C29 (1)
Stoich.:	AB2C3D4E27F29 (1)
Weight, g/mol:	279.132671
ΔH_f, kcal/mol:	-246.64
Dipole, Da:	2.63
IP(EA), eV:	-9.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(3-methylbutyldisulfanyl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)CN(CC2)CC3=C(C=CC4=C3CC[C@H]4OC5=CC6=C(C=C5)/C(=C/C(=O)OC)/CO6)C(F)(F)F

DOS

IR

Vibrations