Geometry & MOs

Info

ID:	37352
PubChem CID:	8020084
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-194.06
Dipole, Da:	3.28
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3CCCC3

DOS

IR

Vibrations