Geometry & MOs

Info

ID:

119581

PubChem CID:

50691743

Reduced:

ClO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

649.246725

ΔHf, kcal/mol:

-203.14

Dipole, Da:

8.63

IP(EA), eV:

 -8.56(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl)C

DOS

IR

Vibrations