Geometry & MOs

Info

ID:

120119

PubChem CID:

50714706

Reduced:

ClO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

671.231075

ΔHf, kcal/mol:

-141.57

Dipole, Da:

4.86

IP(EA), eV:

 -8.65(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-[(4-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)NC(=O)C5CCCCC5

DOS

IR

Vibrations