Geometry & MOs

Info

ID:	131097
PubChem CID:	51155812
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	365.07389
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	4.27
IP(EA), eV:	-9.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCCCN2C=CN=C2

DOS

IR

Vibrations