Geometry & MOs

Info

ID:

184935

PubChem CID:

77232207

Reduced:

ClS2N5O5C22H28 (1)

Stoich.:

AB2C5D5E22F28 (1)

Weight, g/mol:

436.073882

ΔHf, kcal/mol:

-178.83

Dipole, Da:

3.19

IP(EA), eV:

 -9.25(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[2-[[(2S)-2-amino-2-sulfanylethyl]amino]-2-oxoethyl]-2-[[2-(3,5-dichlorophenyl)acetyl]amino]-3-hydroxybutanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@@H](C1=CC(=CC=C1)Cl)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)NCC(N)S

DOS

IR

Vibrations