Geometry & MOs

Info

ID:	237045
PubChem CID:	92717058
Reduced:	ClOS2N4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	55.86
Dipole, Da:	3.7
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 2-ethoxypyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)NC(=O)CSC3=NN=C(S3)N

DOS

IR

Vibrations