Geometry & MOs

Info

ID:	135995
PubChem CID:	51963579
Reduced:	FON3C21H28 (1)
Stoich.:	ABC3D21E28 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	3.35
IP(EA), eV:	-8.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylsulfanylimidazol-1-yl)-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)NC2=CC(=C(C=C2)N(C)C(C)C)F

DOS

IR

Vibrations