Geometry & MOs

Info

ID:	383027
PubChem CID:	134974517
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	649.293405
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	3.49
IP(EA), eV:	-9.65(1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-4-[[1-[[(6S)-6-ethylsulfanyloxan-2-yl]methyl]triazol-4-yl]methylamino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC#C[C@H](C)[C@@H]([C@@H](C)CO)OC

DOS

IR

Vibrations