Geometry & MOs

Info

ID:	85424
PubChem CID:	49875015
Reduced:	SCl2N3O3C18H19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	370.06734
ΔH_f, kcal/mol:	-107.04
Dipole, Da:	3.14
IP(EA), eV:	-9.02(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorobenzoyl)-4-(4-methylpiperidin-1-yl)thiophen-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C2=C(SC(=C2)CCC(=O)NCCCl)NC(=O)CN)Cl

DOS

IR

Vibrations