Geometry & MOs

Info

ID:	11830
PubChem CID:	121633
Reduced:	O2S2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	309.060569
ΔH_f, kcal/mol:	48.57
Dipole, Da:	6.03
IP(EA), eV:	-8.99(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitrothiophen-2-yl)-4-(piperidin-1-ylmethyl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations