Geometry & MOs

Info

ID:	390416
PubChem CID:	134999058
Reduced:	NOSC26H31 (1)
Stoich.:	ABCD26E31 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	0.47
Dipole, Da:	2.8
IP(EA), eV:	-8.44(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8S,8aR)-5-tert-butyl-3a,8-dimethyl-8,8a-dihydrothieno[3,2-c]azepin-4-one

Drug info:

PubChemData

Smile

CCC1(C=C(N(C1=O)C(C)(C)C)C2=CC=CC=C2)/C=C(/C3=CC=CC=C3)\SCC

DOS

IR

Vibrations