Geometry & MOs

Info

ID:

105108

PubChem CID:

50106387

Reduced:

ClO5N6C27H33 (1)

Stoich.:

AB5C6D27E33 (1)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-198.31

Dipole, Da:

8.64

IP(EA), eV:

 -9.05(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations