Geometry & MOs

Info

ID:

193420

PubChem CID:

78392199

Reduced:

O2S2N4C35H69 (2)

Stoich.:

A2B2C4D35E69 (2)

Weight, g/mol:

1010.478306

ΔHf, kcal/mol:

-454.63

Dipole, Da:

5.7

IP(EA), eV:

 -8.84(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[3-hydroxy-1-[[1-[[3-hydroxy-1-[[1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]amino]-6-methyl-1-oxoheptan-4-yl]amino]-1-oxopropan-2-yl]amino]-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(=S)N.CCCCCCCCCCCCCCCC(=O)NC(=S)N.CCCCCCCCCCCCCC(=O)NC(=S)N.CCCCCCCCC=CCCCCCCCC(=O)NC(=S)N

DOS

IR

Vibrations