Geometry & MOs

Info

ID:

97463

PubChem CID:

50031948

Reduced:

BrO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-174.2

Dipole, Da:

8.89

IP(EA), eV:

 -8.96(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)C(=O)NC(C)C

DOS

IR

Vibrations