Geometry & MOs

Info

ID:

188403

PubChem CID:

77711618

Reduced:

PN5O9C46H54 (1)

Stoich.:

AB5C9D46E54 (1)

Weight, g/mol:

710.346821

ΔHf, kcal/mol:

-276.25

Dipole, Da:

7.67

IP(EA), eV:

 -8.56(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl 2-[aminomethyl-[(2-phenoxyacetyl)amino]amino]-2-[benzhydryl(methyl)carbamoyl]hexanoate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(OCCC#N)ON1C(=CCN(C1=O)C2CC(C(O2)C(C(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)O)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations