Geometry & MOs

Info

ID:	205618
PubChem CID:	80127376
Reduced:	BrNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	361.00599
ΔH_f, kcal/mol:	23.42
Dipole, Da:	1.87
IP(EA), eV:	-8.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-bromo-2,6-difluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC2=C(C=C(C=C2)[C@@H](C)N)Br)C

DOS

IR

Vibrations