Geometry & MOs

Info

ID:

111373

PubChem CID:

50363599

Reduced:

BrO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-196.76

Dipole, Da:

7.66

IP(EA), eV:

 -8.84(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylpropanoylamino)phenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)Br

DOS

IR

Vibrations