Geometry & MOs

Info

ID:

92261

PubChem CID:

49984792

Reduced:

ClO4N5C33H42 (1)

Stoich.:

AB4C5D33E42 (1)

Weight, g/mol:

615.378455

ΔHf, kcal/mol:

-170.82

Dipole, Da:

9.6

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations