Geometry & MOs

Info

ID:

306520

PubChem CID:

125085088

Reduced:

ClSN3O6C28H38 (1)

Stoich.:

ABC3D6E28F38 (1)

Weight, g/mol:

647.198748

ΔHf, kcal/mol:

-237.18

Dipole, Da:

5.28

IP(EA), eV:

 -8.81(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC)N(CC1=CC=CC=C1Cl)C(=O)CCCN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

DOS

IR

Vibrations