Geometry & MOs

Info

ID:	58002
PubChem CID:	24398192
Reduced:	ClN2S3O4H13C19 (1)
Stoich.:	AB2C3D4E13F19 (1)
Weight, g/mol:	405.000861
ΔH_f, kcal/mol:	-29.47
Dipole, Da:	10.14
IP(EA), eV:	-8.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl

DOS

IR

Vibrations