Geometry & MOs

Info

ID:

116626

PubChem CID:

50569116

Reduced:

ClN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

615.239452

ΔHf, kcal/mol:

-180.07

Dipole, Da:

4.05

IP(EA), eV:

 -8.2(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C)Cl

DOS

IR

Vibrations