Geometry & MOs

Info

ID:

120128

PubChem CID:

50715014

Reduced:

ClO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

760.351525

ΔHf, kcal/mol:

-214.3

Dipole, Da:

8.23

IP(EA), eV:

 -8.92(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-[(3-fluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations