Geometry & MOs

Info

ID:	348805
PubChem CID:	127274453
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	7.68
IP(EA), eV:	-8.46(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations