Geometry & MOs

Info

ID:

109118

PubChem CID:

50273611

Reduced:

N5O6C36H43 (1)

Stoich.:

A5B6C36D43 (1)

Weight, g/mol:

631.294074

ΔHf, kcal/mol:

-196.02

Dipole, Da:

11.43

IP(EA), eV:

 -8.38(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)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=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations