Geometry & MOs

Info

ID:

119003

PubChem CID:

50666952

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-236.08

Dipole, Da:

5.99

IP(EA), eV:

 -9.08(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC(=C2NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC(C5)C)Cl)C

DOS

IR

Vibrations