Geometry & MOs

Info

ID:

115360

PubChem CID:

50520183

Reduced:

ClO4N5C25H30 (1)

Stoich.:

AB4C5D25E30 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-159.88

Dipole, Da:

7.03

IP(EA), eV:

 -8.88(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations