Geometry & MOs

Info

ID:	401806
PubChem CID:	135052687
Reduced:	BrClPN2O2H29C32 (1)
Stoich.:	ABCD2E2F29G32 (1)
Weight, g/mol:	219.083019
ΔH_f, kcal/mol:	42.15
Dipole, Da:	3.44
IP(EA), eV:	-8.93(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-phenyl-6H-1,3,4-thiadiazin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)/C=N\N=C(/CP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)Br)\C=C/C4=CC=C(C=C4)Cl

DOS

IR

Vibrations