Geometry & MOs

Info

ID:

106727

PubChem CID:

50174194

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-246.65

Dipole, Da:

6.38

IP(EA), eV:

 -8.94(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-fluoro-3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C

DOS

IR

Vibrations