Geometry & MOs

Info

ID:	244230
PubChem CID:	99319512
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	444.10486
ΔH_f, kcal/mol:	-70.53
Dipole, Da:	6.18
IP(EA), eV:	-9.24(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)N3CCC[C@H](C3)NC(=O)CC)C

DOS

IR

Vibrations