Geometry & MOs

Info

ID:	423640
PubChem CID:	135119887
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	338.130967
ΔH_f, kcal/mol:	-155.52
Dipole, Da:	8.17
IP(EA), eV:	-9.28(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CN1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations