Geometry & MOs

Info

ID:

107249

PubChem CID:

50196136

Reduced:

FN6O7C40H49 (1)

Stoich.:

AB6C7D40E49 (1)

Weight, g/mol:

708.376597

ΔHf, kcal/mol:

-294.21

Dipole, Da:

2.76

IP(EA), eV:

 -8.76(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(propan-2-ylcarbamoyl)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

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations