Geometry & MOs

Info

ID:	265429
PubChem CID:	103520238
Reduced:	ClNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	182.051384
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	2.87
IP(EA), eV:	-8.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanenitrile

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations