Geometry & MOs

Info

ID:	375649
PubChem CID:	134220341
Reduced:	S2N5O5C21H23 (1)
Stoich.:	A2B5C5D21E23 (1)
Weight, g/mol:	367.108754
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	3.01
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC(=CC(=C1)C2=C(C=C(C=C2)C3=NC=CN=C3)CCC(=O)N)NS(=O)(=O)C

DOS

IR

Vibrations