Geometry & MOs

Info

ID:

306641

PubChem CID:

125093233

Reduced:

ClSN3O5C30H36 (1)

Stoich.:

ABC3D5E30F36 (1)

Weight, g/mol:

683.16647

ΔHf, kcal/mol:

-168.95

Dipole, Da:

5.73

IP(EA), eV:

 -8.62(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(4-bromophenyl)methyl-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations