Geometry & MOs

Info

ID:

106921

PubChem CID:

50181224

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-179.76

Dipole, Da:

7.13

IP(EA), eV:

 -9.01(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C)C

DOS

IR

Vibrations