Geometry & MOs

Info

ID:	2077
PubChem CID:	5736
Reduced:	ClNOSC18H18 (1)
Stoich.:	ABCDE18F18 (1)
Weight, g/mol:	331.079763
ΔH_f, kcal/mol:	14.53
Dipole, Da:	2.7
IP(EA), eV:	-8.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations