Geometry & MOs

Info

ID:

90715

PubChem CID:

49971705

Reduced:

ClO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

728.462519

ΔHf, kcal/mol:

-183.16

Dipole, Da:

8.25

IP(EA), eV:

 -9.03(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations