Geometry & MOs

Info

ID:	426682
PubChem CID:	135153310
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	342.005674
ΔH_f, kcal/mol:	-56.39
Dipole, Da:	4.26
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[4-(difluoromethoxy)phenyl]carbamoyl]thiadiazol-4-yl]methyl thiocyanate

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)[N+](=O)[O-]

DOS

IR

Vibrations