Geometry & MOs

Info

ID:	28331
PubChem CID:	827060
Reduced:	NSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	241.092521
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	2.83
IP(EA), eV:	-8.41(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]methanamine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C[C@@H]2O

DOS

IR

Vibrations