Geometry & MOs

Info

ID:

299169

PubChem CID:

117673755

Reduced:

PCl2N7O8H54C65 (1)

Stoich.:

AB2C7D8E54F65 (1)

Weight, g/mol:

449.04879

ΔHf, kcal/mol:

-82.0

Dipole, Da:

11.59

IP(EA), eV:

 -8.64(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(2S)-1-iodo-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C2C(=C1CN(CC3=CC=CC=N3)CC4=CC=CC=N4)OC5=C(C(=C(C=C5C26C7=C(C=C(C=C7)C(=O)NCCP(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O6)Cl)OC(=O)C)CN(CC1=CC=CC=N1)CC1=CC=CC=N1)Cl

DOS

IR

Vibrations