Geometry & MOs

Info

ID:

99160

PubChem CID:

50048733

Reduced:

BrF2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

651.300302

ΔHf, kcal/mol:

-227.51

Dipole, Da:

13.4

IP(EA), eV:

 -8.57(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations