Geometry & MOs

Info

ID:

306543

PubChem CID:

125086583

Reduced:

BrClSN3O5C26H33 (1)

Stoich.:

ABCD3E5F26G33 (1)

Weight, g/mol:

655.288006

ΔHf, kcal/mol:

-195.15

Dipole, Da:

6.42

IP(EA), eV:

 -8.63(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCC1)N(CC2=CC=C(C=C2)Br)C(=O)CN(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

DOS

IR

Vibrations