Geometry & MOs

Info

ID:	137005
PubChem CID:	52136333
Reduced:	OSN6C16H26 (1)
Stoich.:	ABC6D16E26 (1)
Weight, g/mol:	414.102958
ΔH_f, kcal/mol:	5.35
Dipole, Da:	7.38
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3-oxazole

Drug info:

PubChemData

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CC[C@@H](C)NC(=O)CSC1=NN=C(N1CC)C2=CN(N=C2C)CC

DOS

IR

Vibrations