Geometry & MOs

Info

ID:	132856
PubChem CID:	51432931
Reduced:	SO2N5C20H29 (1)
Stoich.:	AB2C5D20E29 (1)
Weight, g/mol:	407.235497
ΔH_f, kcal/mol:	-45.42
Dipole, Da:	3.44
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[(2S)-butan-2-yl]-2-[(4-methyl-5-oxo-5a,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

Drug info:

PubChemData

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CCN(C1=CCCCC1)C(=O)CSC2=NN=C3N2C4CCCCC4C(=O)N3C

DOS

IR

Vibrations