Geometry & MOs

Info

ID:

109123

PubChem CID:

50273616

Reduced:

FO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

617.278424

ΔHf, kcal/mol:

-166.63

Dipole, Da:

11.23

IP(EA), eV:

 -8.76(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations