Geometry & MOs

Info

ID:	423422
PubChem CID:	135119484
Reduced:	ClNSO5C14H18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	344.190006
ΔH_f, kcal/mol:	-220.78
Dipole, Da:	9.92
IP(EA), eV:	-10.08(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[2-(4-fluorophenyl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations