Geometry & MOs

Info

ID:	28367
PubChem CID:	827209
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	333.059028
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	2.67
IP(EA), eV:	-8.12(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](CN1CCN(CC1)C2=CC=C(C=C2)C3CCCC3)O

DOS

IR

Vibrations