Geometry & MOs

Info

ID:	426732
PubChem CID:	135153606
Reduced:	N2O5C18H28 (1)
Stoich.:	A2B5C18D28 (1)
Weight, g/mol:	338.99233
ΔH_f, kcal/mol:	-149.27
Dipole, Da:	4.19
IP(EA), eV:	-8.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(C[C@@H](C)OC)CC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations