Geometry & MOs

Info

ID:

107199

PubChem CID:

50195113

Reduced:

ClO5N6C41H57 (1)

Stoich.:

AB5C6D41E57 (1)

Weight, g/mol:

736.371511

ΔHf, kcal/mol:

-250.16

Dipole, Da:

5.94

IP(EA), eV:

 -8.78(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations