Geometry & MOs

Info

ID:

162806

PubChem CID:

57570972

Reduced:

NS4O8C20H33 (1)

Stoich.:

AB4C8D20E33 (1)

Weight, g/mol:

654.180937

ΔHf, kcal/mol:

-360.53

Dipole, Da:

11.38

IP(EA), eV:

 -9.11(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-[[4-[(2S)-2-formyl-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]methoxy]-5-methoxy-2-nitrobenzoyl]-4-methylidenepyrrolidin-2-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)NCCCOC1=CC(=CC(=C1)COS(=O)(=O)C)COS(=O)(=O)C)SSC

DOS

IR

Vibrations