Geometry & MOs

Info

ID:	204070
PubChem CID:	79908766
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	327.069592
ΔH_f, kcal/mol:	-127.88
Dipole, Da:	1.68
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxa-2-thiaspiro[4.5]decan-9-yl 3-amino-4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)N)C(=O)OC2CCOC3(C2)CCCC3

DOS

IR

Vibrations