Geometry & MOs

Info

ID:

306477

PubChem CID:

125081928

Reduced:

SN3O4C32H41 (1)

Stoich.:

AB3C4D32E41 (1)

Weight, g/mol:

563.281778

ΔHf, kcal/mol:

-148.21

Dipole, Da:

4.33

IP(EA), eV:

 -9.17(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](C)N(CCC1=CC=CC=C1)C(=O)CN(C2=C(C=C(C=C2)C)C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations