Geometry & MOs

Info

ID:

120299

PubChem CID:

50721509

Reduced:

ClN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-173.58

Dipole, Da:

3.53

IP(EA), eV:

 -8.89(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations