Geometry & MOs

Info

ID:	424533
PubChem CID:	135123033
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	26.28
Dipole, Da:	1.2
IP(EA), eV:	-8.58(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-2,3,4,5-tetrahydropyrido[2,3-f]thiazepine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C=CC=N2)SNC1

DOS

IR

Vibrations