Geometry & MOs

Info

ID:

179774

PubChem CID:

76529750

Reduced:

ClS2N4O4C21H21 (1)

Stoich.:

AB2C4D4E21F21 (1)

Weight, g/mol:

638.404335

ΔHf, kcal/mol:

-99.33

Dipole, Da:

6.59

IP(EA), eV:

 -9.11(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl-[1-[[4-[[3,3-dimethyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]butanoyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN1CCCC1CS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations