Geometry & MOs

Info

ID:	65418
PubChem CID:	29214898
Reduced:	SN8C15H26 (1)
Stoich.:	AB8C15D26 (1)
Weight, g/mol:	350.200114
ΔH_f, kcal/mol:	99.06
Dipole, Da:	6.18
IP(EA), eV:	-8.24(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CC[C@@H](C)SC1=NN=C(N1N)N/N=C\C2=C(N(N=C2C)C(C)C)C

DOS

IR

Vibrations