Geometry & MOs

Info

ID:

94441

PubChem CID:

50001278

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-241.55

Dipole, Da:

5.25

IP(EA), eV:

 -8.31(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[3-chloro-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C)C

DOS

IR

Vibrations