Geometry & MOs

Info

ID:	269714
PubChem CID:	103618751
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	373.00803
ΔH_f, kcal/mol:	-126.81
Dipole, Da:	3.43
IP(EA), eV:	-9.39(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)NC2CCC3(CC2)OCCO3

DOS

IR

Vibrations