Geometry & MOs

Info

ID:

107476

PubChem CID:

50204680

Reduced:

FN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-256.56

Dipole, Da:

11.17

IP(EA), eV:

 -8.36(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C

DOS

IR

Vibrations