Geometry & MOs

Info

ID:	89900
PubChem CID:	49965296
Reduced:	NSCl2O5H15C21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-149.74
Dipole, Da:	8.1
IP(EA), eV:	-9.23(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5R)-4-(3-methoxy-4-propan-2-yloxyphenyl)-2,6-dioxo-5-pyridin-1-ium-1-ylpiperidin-3-ylidene]methylideneazanide

Drug info:

PubChemData

Smile

COCOC(=O)C1=C(OC2=C(C1C3=C(C=C(C=C3)Cl)Cl)C(=O)SC4=CC=CC=C42)N

DOS

IR

Vibrations