Geometry & MOs

Info

ID:	234315
PubChem CID:	92298158
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	2.19
IP(EA), eV:	-8.99(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-benzylsulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCN(C)C)OC1=CC(=CC=C1)Cl

DOS

IR

Vibrations