Geometry & MOs

Info

ID:	447509
PubChem CID:	135283465
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	398.146427
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	3.3
IP(EA), eV:	-9.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-fluoro-4-methyl-5-[4-(thiomorpholine-4-carbonyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NCCO)C2=NN=C(C=C2)C(=O)NC3CCCC3

DOS

IR

Vibrations