Geometry & MOs

Info

ID:	184887
PubChem CID:	77224471
Reduced:	SN6C21H32 (1)
Stoich.:	AB6C21D32 (1)
Weight, g/mol:	398.225266
ΔH_f, kcal/mol:	65.17
Dipole, Da:	5.57
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-amino-3,4-dihydro-1H-naphthalen-2-yl)methyl]-5-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(CNC1=NN=C(S1)C2CCC3C(C2)C(NN3)C4=CC=CC=C4)N

DOS

IR

Vibrations