Geometry & MOs

Info

ID:	237737
PubChem CID:	92721159
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	383.110376
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	8.51
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-3-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

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CC1=C2[C@@H](SCC(=O)N=C2NN1)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations