Geometry & MOs

Info

ID:

97696

PubChem CID:

50033970

Reduced:

BrF2O4N5C35H40 (1)

Stoich.:

AB2C4D5E35F40 (1)

Weight, g/mol:

637.284652

ΔHf, kcal/mol:

-230.42

Dipole, Da:

12.97

IP(EA), eV:

 -8.6(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations