Geometry & MOs

Info

ID:

224185

PubChem CID:

85339767

Reduced:

SO14N16C53H90 (1)

Stoich.:

AB14C16D53E90 (1)

Weight, g/mol:

1239.707453

ΔHf, kcal/mol:

-676.57

Dipole, Da:

0.7

IP(EA), eV:

 -9.17(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[5-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]-[4-hydroxy-3-methoxy-5-[(octylcarbamoylamino)methyl]oxolan-2-yl]oxymethyl]-3-octyl-2,4-dioxoimidazolidin-1-yl]propylamino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CS)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N

DOS

IR

Vibrations