Geometry & MOs

Info

ID:	203021
PubChem CID:	79762148
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	309.106647
ΔH_f, kcal/mol:	-4.89
Dipole, Da:	6.35
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(S1)COC2=C(C=CC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations