Geometry & MOs

Info

ID:

106813

PubChem CID:

50177151

Reduced:

O4N5C37H53 (1)

Stoich.:

A4B5C37D53 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-199.89

Dipole, Da:

7.53

IP(EA), eV:

 -8.74(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C)C

DOS

IR

Vibrations