Geometry & MOs

Info

ID:

106970

PubChem CID:

50183624

Reduced:

ClO4N5C36H48 (1)

Stoich.:

AB4C5D36E48 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-200.8

Dipole, Da:

1.94

IP(EA), eV:

 -8.86(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations