Geometry & MOs

Info

ID:	301952
PubChem CID:	123105087
Reduced:	ClS2N3O3C15H16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	405.080157
ΔH_f, kcal/mol:	-49.55
Dipole, Da:	4.77
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(4-chlorophenyl)methylsulfinyl]acetyl]-4-propyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NN=C(S2)NC(=O)CS(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations