Geometry & MOs

Info

ID:	172421
PubChem CID:	75508270
Reduced:	Cl2N6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	408.99073
ΔH_f, kcal/mol:	96.59
Dipole, Da:	6.42
IP(EA), eV:	-8.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNC2=NN=C(N2C)C)Cl)C3=CC=CC=C3Cl

DOS

IR

Vibrations