Geometry & MOs

Info

ID:	48039
PubChem CID:	10536744
Reduced:	OSN3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	29.25
Dipole, Da:	6.62
IP(EA), eV:	-9.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-1,3-dihydroxypent-4-en-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC#N

DOS

IR

Vibrations