Geometry & MOs

Info

ID:

106360

PubChem CID:

50159667

Reduced:

O4N5C32H45 (1)

Stoich.:

A4B5C32D45 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-182.42

Dipole, Da:

7.93

IP(EA), eV:

 -8.74(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[3-[(3-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3CC)C)C

DOS

IR

Vibrations