Geometry & MOs

Info

ID:

104470

PubChem CID:

50104349

Reduced:

F2O4N5C28H35 (1)

Stoich.:

A2B4C5D28E35 (1)

Weight, g/mol:

557.278424

ΔHf, kcal/mol:

-249.04

Dipole, Da:

2.64

IP(EA), eV:

 -8.98(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]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=C(C=C(C=C3)F)F

DOS

IR

Vibrations