Geometry & MOs

Info

ID:

411792

PubChem CID:

135084637

Reduced:

P2H41C42 (1)

Stoich.:

A2B41C42 (1)

Weight, g/mol:

1099.0767

ΔHf, kcal/mol:

97.08

Dipole, Da:

7.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.949652

Charge, e:

 -1

Chem-info

IUPAC name:

(4-fluorophenyl)methyl (2S)-1-[(4S)-4-[(4-fluorophenyl)methoxycarbonyl]-1-[(4S)-4-[(4-fluorophenyl)methoxycarbonyl]-1-[[(4S)-4-[(4-fluorophenyl)methoxycarbonyl]-azanidacyclobut-2-yl]oxy]azetidin-2-yl]oxyazetidin-2-yl]oxy-4-hydroxyazetidine-2-carboxylate;rhodium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)P(C2=CC=CC(=C2)C)C3=C(C=CC(=C3)C)[P+](C4=CC=CC(=C4)C)(C5=CC=CC(=C5)C)C6=CC=CC(=C6)C

DOS

IR

Vibrations