Geometry & MOs

Info

ID:

107521

PubChem CID:

50206944

Reduced:

ClO5N6C40H57 (1)

Stoich.:

AB5C6D40E57 (1)

Weight, g/mol:

649.339483

ΔHf, kcal/mol:

-261.62

Dipole, Da:

4.83

IP(EA), eV:

 -8.86(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-1-[1-[1-[2-methyl-4-[(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)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NCC(C)C)C

DOS

IR

Vibrations