Geometry & MOs

Info

ID:

306623

PubChem CID:

125092679

Reduced:

SCl2N3O5C36H39 (1)

Stoich.:

AB2C3D5E36F39 (1)

Weight, g/mol:

537.170035

ΔHf, kcal/mol:

-144.47

Dipole, Da:

4.61

IP(EA), eV:

 -9.16(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations