Geometry & MOs

Info

ID:

407301

PubChem CID:

135079766

Reduced:

S2N3O6H57C63 (1)

Stoich.:

A2B3C6D57E63 (1)

Weight, g/mol:

1050.345077

ΔHf, kcal/mol:

-60.22

Dipole, Da:

2.39

IP(EA), eV:

 -8.77(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-[benzyl(phenylmethoxy)phosphoryl]oxypent-2-en-3-yl]disulfanyl]-5-[benzyl(phenylmethoxy)phosphoryl]oxypent-2-en-2-yl]formamide

Drug info:

PubChemData

Smile

C[C@](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)OC)NC(=O)[C@H](CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)CNC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79

DOS

IR

Vibrations