Geometry & MOs

Info

ID:

102302

PubChem CID:

50066097

Reduced:

O3F4N4H26C28 (1)

Stoich.:

A3B4C4D26E28 (1)

Weight, g/mol:

595.237702

ΔHf, kcal/mol:

-246.29

Dipole, Da:

3.77

IP(EA), eV:

 -9.11(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations