Geometry & MOs

Info

ID:	132201
PubChem CID:	51319745
Reduced:	ClSO3N6H13C15 (1)
Stoich.:	ABC3D6E13F15 (1)
Weight, g/mol:	335.085911
ΔH_f, kcal/mol:	44.74
Dipole, Da:	6.92
IP(EA), eV:	-9.5(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC=NC3=C2C=NN3C

DOS

IR

Vibrations