Geometry & MOs

Info

ID:

92101

PubChem CID:

49982906

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-208.79

Dipole, Da:

13.93

IP(EA), eV:

 -8.84(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-3-oxopropyl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations