Geometry & MOs

Info

ID:

215621

PubChem CID:

85084995

Reduced:

S2N10O13C51H72 (1)

Stoich.:

A2B10C13D51E72 (1)

Weight, g/mol:

1096.567378

ΔHf, kcal/mol:

-581.57

Dipole, Da:

9.27

IP(EA), eV:

 -8.77(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C)NC(=O)C4CCCN4C(=O)C(CS)N

DOS

IR

Vibrations