Geometry & MOs

Info

ID:

112821

PubChem CID:

50421467

Reduced:

FCl2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

595.237702

ΔHf, kcal/mol:

-189.52

Dipole, Da:

8.84

IP(EA), eV:

 -8.92(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC(=C3)Cl)Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations