Geometry & MOs

Info

ID:

104408

PubChem CID:

50104223

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-229.55

Dipole, Da:

7.18

IP(EA), eV:

 -8.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations