Geometry & MOs

Info

ID:

93365

PubChem CID:

49994144

Reduced:

ClO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

623.323833

ΔHf, kcal/mol:

-190.18

Dipole, Da:

8.53

IP(EA), eV:

 -8.98(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)-3-chlorophenyl]-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)NC4=CC(=C(C=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations