Geometry & MOs

Info

ID:	234313
PubChem CID:	92298153
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-63.32
Dipole, Da:	3.39
IP(EA), eV:	-8.37(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C[C@H](C)C2=CC=CC=C2)O

DOS

IR

Vibrations