Geometry & MOs

Info

ID:	404030
PubChem CID:	135064640
Reduced:	SC17H30 (1)
Stoich.:	AB17C30 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	1.83
IP(EA), eV:	-8.25(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3S)-3-phenylmethoxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCSC#CC1CCCC1

DOS

IR

Vibrations