Geometry & MOs

Info

ID:

306637

PubChem CID:

125093174

Reduced:

SCl2N3O4C32H39 (1)

Stoich.:

AB2C3D4E32F39 (1)

Weight, g/mol:

588.121226

ΔHf, kcal/mol:

-155.67

Dipole, Da:

7.28

IP(EA), eV:

 -9.34(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@H](CC)C(=O)N[C@H](C)CC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations