Geometry & MOs

Info

ID:

383211

PubChem CID:

134974802

Reduced:

NSO2H21C23 (1)

Stoich.:

ABC2D21E23 (1)

Weight, g/mol:

779.320014

ΔHf, kcal/mol:

27.25

Dipole, Da:

7.14

IP(EA), eV:

 -7.65(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S)-4-[[1-[[(3S,6R)-3,4-diacetyloxy-6-ethylsulfanyl-5-methyloxan-2-yl]methyl]triazol-4-yl]methylamino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H]1C3=C(C=CC(=C3)OCC4=CC=CC=C4)N=[S+]2(C5=CC=CC=C5)[O-]

DOS

IR

Vibrations