Geometry & MOs

Info

ID:

306629

PubChem CID:

125092863

Reduced:

BrSCl2N3O4H34C35 (1)

Stoich.:

ABC2D3E4F34G35 (1)

Weight, g/mol:

640.235556

ΔHf, kcal/mol:

-89.97

Dipole, Da:

3.71

IP(EA), eV:

 -9.15(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]-benzylamino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](CC2=CC=CC=C2)N(CC3=CC=C(C=C3)Br)C(=O)CN(C4=CC(=CC(=C4)Cl)Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations