Geometry & MOs

Info

ID:

102846

PubChem CID:

50070124

Reduced:

FN5O6C35H42 (1)

Stoich.:

AB5C6D35E42 (1)

Weight, g/mol:

637.284652

ΔHf, kcal/mol:

-256.62

Dipole, Da:

11.66

IP(EA), eV:

 -8.54(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)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=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)OC)OC)F

DOS

IR

Vibrations