Geometry & MOs

Info

ID:	306728
PubChem CID:	125236273
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-110.87
Dipole, Da:	3.57
IP(EA), eV:	-8.85(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aR,8aS)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-2-(3-methoxyphenyl)ethanone

Drug info:

PubChemData

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CC(C)NC(=O)[C@]12CN(C[C@@H]1COC2)CC3=C(N=CC=C3)OC

DOS

IR

Vibrations