Geometry & MOs

Info

ID:	171681
PubChem CID:	75412965
Reduced:	N2O3S3C18H22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	2.34
IP(EA), eV:	-8.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyanoindolizin-2-yl)methyl 2-methoxyacetate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC4=C(C=C3)N=C(S4)SC)C

DOS

IR

Vibrations