Geometry & MOs

Info

ID:

306573

PubChem CID:

125089077

Reduced:

FSN4O7C31H35 (1)

Stoich.:

ABC4D7E31F35 (1)

Weight, g/mol:

603.313078

ΔHf, kcal/mol:

-204.33

Dipole, Da:

6.48

IP(EA), eV:

 -9.51(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C

DOS

IR

Vibrations