Geometry & MOs

Info

ID:

409899

PubChem CID:

135082686

Reduced:

AlLiN2O4C46H46 (1)

Stoich.:

ABC2D4E46F46 (1)

Weight, g/mol:

718.335121

ΔHf, kcal/mol:

-103.37

Dipole, Da:

19.74

IP(EA), eV:

 -6.88(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-2-[benzyl-[(2S)-2-[[(4S,8S)-6-benzyl-4,8-diphenyl-1,3,6,2-dioxazalumocan-2-yl]oxy]-2-phenylethyl]amino]-1-phenylethanol

Drug info:

PubChemData

Smile

[Li+].C1[C@@H](O[Al](O[C@H](CN1CC2=CC=CC=C2)C3=CC=CC=C3)O[C@H](CN(CC4=CC=CC=C4)C[C@H](C5=CC=CC=C5)[O-])C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations