Geometry & MOs

Info

ID:

98039

PubChem CID:

50038598

Reduced:

BrClF2O3N4H28C29 (1)

Stoich.:

ABC2D3E4F28G29 (1)

Weight, g/mol:

641.25958

ΔHf, kcal/mol:

-168.07

Dipole, Da:

11.68

IP(EA), eV:

 -8.9(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations