Geometry & MOs

Info

ID:	391929
PubChem CID:	135011121
Reduced:	ClNO4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	322.009825
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	2.48
IP(EA), eV:	-8.25(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-4,5-dihydro-1,3-benzothiazepin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC2=C(C=C(C=C2OC)N)OC)Cl)OC

DOS

IR

Vibrations