Geometry & MOs

Info

ID:	306740
PubChem CID:	125236826
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-92.62
Dipole, Da:	5.58
IP(EA), eV:	-9.45(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2C[C@@H]([C@H]3[C@H]2CCCO3)OCC4=CN=CC=C4

DOS

IR

Vibrations