Geometry & MOs

Info

ID:

119086

PubChem CID:

50669647

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

764.402811

ΔHf, kcal/mol:

-148.82

Dipole, Da:

6.42

IP(EA), eV:

 -9.16(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations