Geometry & MOs

Info

ID:

106847

PubChem CID:

50178766

Reduced:

ClN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-219.98

Dipole, Da:

7.0

IP(EA), eV:

 -8.84(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations