Geometry & MOs

Info

ID:

306556

PubChem CID:

125086944

Reduced:

SN3O6C32H41 (1)

Stoich.:

AB3C6D32E41 (1)

Weight, g/mol:

735.15332

ΔHf, kcal/mol:

-202.61

Dipole, Da:

5.1

IP(EA), eV:

 -8.8(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(4-bromophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN([C@H](CC2=CC=CC=C2)C(=O)NCC(C)C)C(=O)CN(C3=C(C=C(C=C3)OC)OC)S(=O)(=O)C

DOS

IR

Vibrations