Geometry & MOs

Info

ID:	89894
PubChem CID:	49965285
Reduced:	ClS2N3O4H16C18 (1)
Stoich.:	AB2C3D4E16F18 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-104.58
Dipole, Da:	2.27
IP(EA), eV:	-9.07(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5R)-2,6-dioxo-5-pyridin-1-ium-1-yl-4-(3,4,5-trimethoxyphenyl)piperidin-3-ylidene]methylideneazanide

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)C1=C(C(=C(S1)SCC(=O)NC2=CC=C(C=C2)Cl)C#N)N

DOS

IR

Vibrations