Geometry & MOs

Info

ID:

106718

PubChem CID:

50173625

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-227.48

Dipole, Da:

5.29

IP(EA), eV:

 -8.49(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations