Geometry & MOs

Info

ID:

116469

PubChem CID:

50561899

Reduced:

BrClO4N5C28H35 (1)

Stoich.:

ABC4D5E28F35 (1)

Weight, g/mol:

577.223802

ΔHf, kcal/mol:

-165.54

Dipole, Da:

4.61

IP(EA), eV:

 -9.04(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)Br)Cl

DOS

IR

Vibrations