Geometry & MOs

Info

ID:

118375

PubChem CID:

50640060

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-218.66

Dipole, Da:

3.91

IP(EA), eV:

 -9.15(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4C

DOS

IR

Vibrations