Geometry & MOs

Info

ID:

112560

PubChem CID:

50411750

Reduced:

ClO5N6C29H35 (1)

Stoich.:

AB5C6D29E35 (1)

Weight, g/mol:

571.294074

ΔHf, kcal/mol:

-197.59

Dipole, Da:

8.53

IP(EA), eV:

 -8.81(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)C(=O)NC

DOS

IR

Vibrations