Geometry & MOs

Info

ID:	426827
PubChem CID:	135154089
Reduced:	ClFO3N4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	420.938102
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	7.81
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(C(C2)F)OC3=CC4=C(CN(C4=O)C)C=C3

DOS

IR

Vibrations