Geometry & MOs

Info

ID:

97768

PubChem CID:

50034639

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-231.68

Dipole, Da:

8.41

IP(EA), eV:

 -8.81(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations