Geometry & MOs

Info

ID:

106269

PubChem CID:

50155498

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-202.9

Dipole, Da:

11.92

IP(EA), eV:

 -8.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(diethylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC)C

DOS

IR

Vibrations