Geometry & MOs

Info

ID:

189818

PubChem CID:

77908836

Reduced:

NO9C47H93 (1)

Stoich.:

AB9C47D93 (1)

Weight, g/mol:

580.304304

ΔHf, kcal/mol:

-597.88

Dipole, Da:

5.8

IP(EA), eV:

 -10.05(0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[1-[(1,5-diamino-5-oxo-1-sulfanylpentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCC(C)C)O)O

DOS

IR

Vibrations