Geometry & MOs

Info

ID:

107208

PubChem CID:

50195188

Reduced:

N6O7C41H56 (1)

Stoich.:

A6B7C41D56 (1)

Weight, g/mol:

704.389748

ΔHf, kcal/mol:

-293.36

Dipole, Da:

7.52

IP(EA), eV:

 -8.54(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methoxyphenyl]-1-[1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations