Geometry & MOs

Info

ID:	256493
PubChem CID:	103139587
Reduced:	NOF2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	2.75
IP(EA), eV:	-9.31(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]imidazole-2-carbothioamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=CC(=C3)F)F)O

DOS

IR

Vibrations