Geometry & MOs

Info

ID:

383084

PubChem CID:

134974603

Reduced:

O5C18H32 (1)

Stoich.:

A5B18C32 (1)

Weight, g/mol:

777.322122

ΔHf, kcal/mol:

-239.87

Dipole, Da:

1.75

IP(EA), eV:

-9.68(-0.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CO)C(C(C)/C=C(\C)/C(C(C)/C=C(\C)/C(=O)OC)O)OC

DOS

IR

Vibrations