Geometry & MOs

Info

ID:

94344

PubChem CID:

49999799

Reduced:

N6O6C41H56 (1)

Stoich.:

A6B6C41D56 (1)

Weight, g/mol:

726.446869

ΔHf, kcal/mol:

-264.92

Dipole, Da:

8.08

IP(EA), eV:

 -8.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations