Geometry & MOs

Info

ID:

104208

PubChem CID:

50096659

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

605.278424

ΔHf, kcal/mol:

-178.7

Dipole, Da:

4.85

IP(EA), eV:

 -8.69(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations