Geometry & MOs

Info

ID:

442941

PubChem CID:

135257008

Reduced:

S2P3N8O21C32H53 (1)

Stoich.:

A2B3C8D21E32F53 (1)

Weight, g/mol:

471.207293

ΔHf, kcal/mol:

-1014.55

Dipole, Da:

8.59

IP(EA), eV:

 -9.11(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-carbamoyloxybutoxymethyldisulfanyl)-3-methylbutyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCOC(=O)NCCOCCOCCN)SSCOCCCCOC(=O)NCC#CC1=CN(C(=O)NC1=O)C=C2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OCN=[N+]=[N-]

DOS

IR

Vibrations