Geometry & MOs

Info

ID:

215445

PubChem CID:

85084744

Reduced:

O8N10C47H90 (1)

Stoich.:

A8B10C47D90 (1)

Weight, g/mol:

923.483314

ΔHf, kcal/mol:

-503.8

Dipole, Da:

6.45

IP(EA), eV:

 -9.56(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 1-[2-[[1-[1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]piperidine-2-carbonyl]piperidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)N

DOS

IR

Vibrations