Geometry & MOs

Info

ID:

108086

PubChem CID:

50229742

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

728.345296

ΔHf, kcal/mol:

-194.68

Dipole, Da:

9.87

IP(EA), eV:

 -8.71(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-methylbenzoyl)amino]phenyl]-1-[1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)Cl)C

DOS

IR

Vibrations