Geometry & MOs

Info

ID:	419421
PubChem CID:	135108145
Reduced:	FN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	388.162077
ΔH_f, kcal/mol:	-133.55
Dipole, Da:	3.27
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-6-methoxyphenyl)-[4-(2-phenylsulfanylethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CCN(C1)C)CNC2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations