Geometry & MOs

Info

ID:	123513
PubChem CID:	50852149
Reduced:	FNSCl2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	463.148511
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	2.08
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-(4-phenylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=CC(=C1)F)SC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations