Geometry & MOs

Info

ID:

95766

PubChem CID:

50014035

Reduced:

N5O6C33H47 (1)

Stoich.:

A5B6C33D47 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-250.01

Dipole, Da:

9.2

IP(EA), eV:

 -8.43(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations