Geometry & MOs

Info

ID:	375748
PubChem CID:	134221738
Reduced:	SN4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	523.216594
ΔH_f, kcal/mol:	101.42
Dipole, Da:	4.43
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(4Z)-4-methoxyimino-3-methylidenecyclohexa-1,5-diene-1-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Drug info:

PubChemData

Smile

CN(C(=S)N(/C=C\N=C)C)/C=C\N=C

DOS

IR

Vibrations