Geometry & MOs

Info

ID:

435072

PubChem CID:

135179670

Reduced:

SN7O15C59H65 (1)

Stoich.:

AB7C15D59E65 (1)

Weight, g/mol:

227.101839

ΔHf, kcal/mol:

-451.58

Dipole, Da:

4.05

IP(EA), eV:

 -8.49(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(E)-N'-hydrazinylcarbamimidoyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl] formate

Drug info:

PubChemData

Smile

COCCOCCOCCN(CCCC(=O)NCCN1C(=O)C=CC1=O)C2=CC(=CC(=C2)COC3=C(C=C4C(=C3)NC([C@@H]5CC6=CC=CC=C6N5C4=O)S(=O)(=O)O)OC)COC7=C(C=C8C(=C7)NC[C@@H]9CC1=CC=CC=C1N9C8=O)OC

DOS

IR

Vibrations