Geometry & MOs

Info

ID:	65334
PubChem CID:	29214699
Reduced:	SN8C16H26 (1)
Stoich.:	AB8C16D26 (1)
Weight, g/mol:	376.215764
ΔH_f, kcal/mol:	104.97
Dipole, Da:	6.81
IP(EA), eV:	-8.6(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexylsulfanyl-3-N-[(Z)-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylideneamino]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SC3CCCC3

DOS

IR

Vibrations