Geometry & MOs

Info

ID:

106861

PubChem CID:

50179216

Reduced:

ClO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

720.399919

ΔHf, kcal/mol:

-212.76

Dipole, Da:

3.59

IP(EA), eV:

 -8.46(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-3-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C)Cl

DOS

IR

Vibrations