Geometry & MOs

Info

ID:	69835
PubChem CID:	47205502
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	16.59
Dipole, Da:	5.58
IP(EA), eV:	-9.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imidazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=C(C1)C=CS2)N3C=CN=C3

DOS

IR

Vibrations