Geometry & MOs

Info

ID:

106481

PubChem CID:

50164963

Reduced:

ClO4N5C33H42 (1)

Stoich.:

AB4C5D33E42 (1)

Weight, g/mol:

595.256147

ΔHf, kcal/mol:

-167.44

Dipole, Da:

7.61

IP(EA), eV:

 -8.99(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(morpholine-4-carbonyl)phenyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C)Cl

DOS

IR

Vibrations