Geometry & MOs

Info

ID:

96810

PubChem CID:

50024627

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-227.99

Dipole, Da:

6.25

IP(EA), eV:

 -9.11(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[1-[1-[5-(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)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)N5CCC(CC5)C)Cl

DOS

IR

Vibrations