Geometry & MOs

Info

ID:

306639

PubChem CID:

125093187

Reduced:

ClSN3O4C28H32 (1)

Stoich.:

ABC3D4E28F32 (1)

Weight, g/mol:

573.186434

ΔHf, kcal/mol:

-118.04

Dipole, Da:

3.16

IP(EA), eV:

 -9.39(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=CC=CC=C1Cl)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations