Geometry & MOs

Info

ID:

95093

PubChem CID:

50006339

Reduced:

N3O3C20H25 (2)

Stoich.:

A3B3C20D25 (2)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-216.36

Dipole, Da:

7.72

IP(EA), eV:

 -8.23(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(4-fluorobenzoyl)amino]-4-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations