Geometry & MOs

Info

ID:

118389

PubChem CID:

50641089

Reduced:

ClFO4N5C31H41 (1)

Stoich.:

ABC4D5E31F41 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-233.26

Dipole, Da:

5.97

IP(EA), eV:

 -9.06(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations