Geometry & MOs

Info

ID:	46498
PubChem CID:	10524754
Reduced:	O2S2N3C19H29 (1)
Stoich.:	A2B2C3D19E29 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	5.08
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(tert-butylamino)-3-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)CCN1C2=C(C=CC(=C2)C(=O)N)SC[C@@H](C1=O)NCCCSC

DOS

IR

Vibrations