Geometry & MOs

Info

ID:

306586

PubChem CID:

125089259

Reduced:

BrSN3O5C25H34 (1)

Stoich.:

ABC3D5E25F34 (1)

Weight, g/mol:

583.251621

ΔHf, kcal/mol:

-186.26

Dipole, Da:

5.71

IP(EA), eV:

 -8.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC)N(CC1=CC=C(C=C1)OC)C(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

DOS

IR

Vibrations