Geometry & MOs

Info

ID:

107662

PubChem CID:

50213547

Reduced:

ClO5N6C27H33 (1)

Stoich.:

AB5C6D27E33 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-193.66

Dipole, Da:

8.12

IP(EA), eV:

 -9.01(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)N)Cl

DOS

IR

Vibrations