Geometry & MOs

Info

ID:

306524

PubChem CID:

125085501

Reduced:

SCl2N3O5C36H39 (1)

Stoich.:

AB2C3D5E36F39 (1)

Weight, g/mol:

531.276693

ΔHf, kcal/mol:

-151.46

Dipole, Da:

5.3

IP(EA), eV:

 -8.9(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)C4=CC(=CC=C4)OC

DOS

IR

Vibrations