Geometry & MOs

Info

ID:

306603

PubChem CID:

125092288

Reduced:

SCl2N3O5C34H35 (1)

Stoich.:

AB2C3D5E34F35 (1)

Weight, g/mol:

507.195855

ΔHf, kcal/mol:

-137.16

Dipole, Da:

6.67

IP(EA), eV:

 -8.63(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](C)N(CC1=C(C=C(C=C1)Cl)Cl)C(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations