Geometry & MOs

Info

ID:

120236

PubChem CID:

50718987

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

637.246725

ΔHf, kcal/mol:

-179.68

Dipole, Da:

8.77

IP(EA), eV:

 -8.64(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[2-fluoro-5-[(4-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)CC

DOS

IR

Vibrations