Geometry & MOs

Info

ID:	305450
PubChem CID:	124807301
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	424.143234
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	2.35
IP(EA), eV:	-8.98(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,7S,7aR)-7-hydroxy-7-[3-(trifluoromethyl)phenyl]-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

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CN1C=NC2=C1[C@@H](CN(C2)C3CCOCC3)C(=O)NCCC4=CC=CS4

DOS

IR

Vibrations