Geometry & MOs

Info

ID:

93796

PubChem CID:

49996664

Reduced:

SO4N5C35H49 (1)

Stoich.:

AB4C5D35E49 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-187.9

Dipole, Da:

10.01

IP(EA), eV:

 -8.15(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations