Geometry & MOs

Info

ID:	28395
PubChem CID:	827355
Reduced:	NS2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	45.76
Dipole, Da:	1.39
IP(EA), eV:	-8.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(11S)-4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)CCC[C@H]1C2=CC=CC=C2SC3=CC=CC=C3S1

DOS

IR

Vibrations