Geometry & MOs

Info

ID:	426700
PubChem CID:	135153443
Reduced:	N3O6C26H31 (1)
Stoich.:	A3B6C26D31 (1)
Weight, g/mol:	237.020596
ΔH_f, kcal/mol:	-128.76
Dipole, Da:	9.39
IP(EA), eV:	-9.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N(CC(C)C)C3CC4(C3)CN(C4)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations