Geometry & MOs

Info

ID:	426959
PubChem CID:	135154704
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	335.03516
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	6.83
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)phenyl]-4-(difluoromethyl)-N-methylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1C2=C(C=C(C(=N2)N3CCC(CC3)OC4=CN=C(C=C4)OC)C)C(=O)O1

DOS

IR

Vibrations