Geometry & MOs

Info

ID:	30593
PubChem CID:	841548
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-83.68
Dipole, Da:	3.15
IP(EA), eV:	-8.88(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@H](C)NC(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations