Geometry & MOs

Info

ID:

118217

PubChem CID:

50634101

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-217.98

Dipole, Da:

8.76

IP(EA), eV:

 -9.23(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations