Geometry & MOs

Info

ID:	236953
PubChem CID:	92716388
Reduced:	SN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	4.17
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CO1)NC(=O)CN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

DOS

IR

Vibrations