Geometry & MOs

Info

ID:	148238
PubChem CID:	53787900
Reduced:	IN2S2O4H17C21 (1)
Stoich.:	AB2C2D4E17F21 (1)
Weight, g/mol:	419.253255
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	6.89
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;1-methyl-3-[(1-methylpyrazol-3-yl)oxy-(2-nitrophenyl)methoxy]pyrazole

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC(=CC=C4)I

DOS

IR

Vibrations