Geometry & MOs

Info

ID:

95495

PubChem CID:

50009817

Reduced:

FO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-247.66

Dipole, Da:

8.54

IP(EA), eV:

 -8.94(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations