Geometry & MOs

Info

ID:

92591

PubChem CID:

49988367

Reduced:

O4N5C36H51 (1)

Stoich.:

A4B5C36D51 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-197.93

Dipole, Da:

1.99

IP(EA), eV:

 -8.73(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations