Geometry & MOs

Info

ID:

306528

PubChem CID:

125085627

Reduced:

ClSN3O4C31H38 (1)

Stoich.:

ABC3D4E31F38 (1)

Weight, g/mol:

543.136148

ΔHf, kcal/mol:

-142.7

Dipole, Da:

7.53

IP(EA), eV:

 -9.07(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations