Geometry & MOs

Info

ID:	141187
PubChem CID:	52834246
Reduced:	ClON2S3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	322.054277
ΔH_f, kcal/mol:	11.93
Dipole, Da:	2.67
IP(EA), eV:	-8.68(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-(thian-4-yl)-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CSCCC1NC(=O)C2=CSC(=N2)C3=CC=C(S3)Cl

DOS

IR

Vibrations