Geometry & MOs

Info

ID:	433066
PubChem CID:	135173203
Reduced:	NSO5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	242.086684
ΔH_f, kcal/mol:	-215.89
Dipole, Da:	7.16
IP(EA), eV:	-9.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[2-(difluoromethoxy)phenyl]-3,6-dihydro-2H-1,4-oxazin-5-amine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CC[C@@H](N1)CC2=C(C=CC(=C2)S(=O)(=O)O)C

DOS

IR

Vibrations