Geometry & MOs

Info

ID:	440211
PubChem CID:	135230121
Reduced:	NO2C13H17 (3)
Stoich.:	AB2C13D17 (3)
Weight, g/mol:	186.993929
ΔH_f, kcal/mol:	-167.15
Dipole, Da:	9.92
IP(EA), eV:	-8.42(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrol-1-yl) methylsulfanylformate

Drug info:

PubChemData

Smile

CC1=CN(C(C1)C=C)C(=O)C2=CC(=C(C=C2C)OCCCCCOC3=C(C=C(C(=C3)C)C(=O)N4C=C(CC4C=C)C)OCCCN)OC

DOS

IR

Vibrations