Geometry & MOs

Info

ID:	30684
PubChem CID:	841720
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	304.160935
ΔH_f, kcal/mol:	-154.76
Dipole, Da:	4.66
IP(EA), eV:	-8.64(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)[C@@H]3[C@H]4CC[C@@H]([C@H]3C(=O)O)O4

DOS

IR

Vibrations