Geometry & MOs

Info

ID:	218370
PubChem CID:	85089240
Reduced:	O3C30H44 (1)
Stoich.:	A3B30C44 (1)
Weight, g/mol:	452.977515
ΔH_f, kcal/mol:	-153.68
Dipole, Da:	4.09
IP(EA), eV:	-8.5(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(furan-2-yl)ethylideneamino]carbamimidothioate;N'-(furan-2-ylmethylideneamino)carbamimidothioate;oxovanadium(2+);hydrochloride

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC1(CC(=O)C2=CC(=C(C=C2O1)C(C)(C)C)O)C)C)C)C

DOS

IR

Vibrations