Geometry & MOs

Info

ID:

306597

PubChem CID:

125089917

Reduced:

SF3N3O4C31H36 (1)

Stoich.:

AB3C3D4E31F36 (1)

Weight, g/mol:

507.195855

ΔHf, kcal/mol:

-294.88

Dipole, Da:

9.57

IP(EA), eV:

 -9.08(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations