Geometry & MOs

Info

ID:	414978
PubChem CID:	135087958
Reduced:	SN3O4C12H19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	-141.12
Dipole, Da:	5.09
IP(EA), eV:	-9.34(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CNC=C2

DOS

IR

Vibrations