Geometry & MOs

Info

ID:

93904

PubChem CID:

49997605

Reduced:

O4N5C31H43 (1)

Stoich.:

A4B5C31D43 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-181.23

Dipole, Da:

5.87

IP(EA), eV:

 -8.91(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations