Geometry & MOs

Info

ID:

113650

PubChem CID:

50453813

Reduced:

ClFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-226.57

Dipole, Da:

11.76

IP(EA), eV:

 -8.66(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)C

DOS

IR

Vibrations