Geometry & MOs

Info

ID:	157646
PubChem CID:	56436262
Reduced:	FSN3O5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	484.178041
ΔH_f, kcal/mol:	-209.45
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)F

DOS

IR

Vibrations