Geometry & MOs

Info

ID:	209670
PubChem CID:	80701645
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	28.83
Dipole, Da:	2.0
IP(EA), eV:	-9.05(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminophenyl)-1-(1,4-thiazepan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CCNCC2=COC3=CC=CC=C32

DOS

IR

Vibrations