Geometry & MOs

Info

ID:	263922
PubChem CID:	103407781
Reduced:	ClNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	312.095079
ΔH_f, kcal/mol:	4.73
Dipole, Da:	3.26
IP(EA), eV:	-9.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)C2=C(C(=CS2)C)Cl

DOS

IR

Vibrations