Geometry & MOs

Info

ID:	421236
PubChem CID:	135115631
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	362.13972
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	4.34
IP(EA), eV:	-9.01(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(3R,4R)-4-methoxyoxan-3-yl]propanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC3=CSC=C3)C(=O)O

DOS

IR

Vibrations