Geometry & MOs

Info

ID:	65385
PubChem CID:	29214835
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	455.221578
ΔH_f, kcal/mol:	-36.11
Dipole, Da:	4.39
IP(EA), eV:	-9.15(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide

Drug info:

PubChemData

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CN1CCNC(=O)[C@H]1CC(=O)N(C)CC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations