Geometry & MOs

Info

ID:	30137
PubChem CID:	840247
Reduced:	OS2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	2.06
IP(EA), eV:	-8.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)SC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)N

DOS

IR

Vibrations