Geometry & MOs

Info

ID:	426736
PubChem CID:	135153621
Reduced:	ClSO2N4C23H33 (1)
Stoich.:	ABC2D4E23F33 (1)
Weight, g/mol:	323.015174
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	8.47
IP(EA), eV:	-8.85(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC(=NS3)Cl

DOS

IR

Vibrations