Geometry & MOs

Info

ID:

114287

PubChem CID:

50477704

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-199.32

Dipole, Da:

2.97

IP(EA), eV:

 -8.64(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations