Geometry & MOs

Info

ID:

306495

PubChem CID:

125083858

Reduced:

S2N3O4C38H43 (1)

Stoich.:

A2B3C4D38E43 (1)

Weight, g/mol:

625.23772

ΔHf, kcal/mol:

-101.99

Dipole, Da:

5.24

IP(EA), eV:

 -8.73(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-N-[(2R)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN([C@H](CC2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)CN(C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)SC

DOS

IR

Vibrations