Geometry & MOs

Info

ID:

115913

PubChem CID:

50539126

Reduced:

ClFO5N6C37H48 (1)

Stoich.:

ABC5D6E37F48 (1)

Weight, g/mol:

722.275024

ΔHf, kcal/mol:

-273.12

Dipole, Da:

6.92

IP(EA), eV:

 -8.76(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F)Cl

DOS

IR

Vibrations