Geometry & MOs

Info

ID:

306476

PubChem CID:

125081927

Reduced:

FSCl2N3O4C29H32 (1)

Stoich.:

ABC2D3E4F29G32 (1)

Weight, g/mol:

563.281778

ΔHf, kcal/mol:

-174.67

Dipole, Da:

7.09

IP(EA), eV:

 -9.29(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-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](CC)N(CC1=CC=C(C=C1)F)C(=O)CN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations