Geometry & MOs

Info

ID:	351970
PubChem CID:	127282888
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	301.146013
ΔH_f, kcal/mol:	-76.39
Dipole, Da:	1.98
IP(EA), eV:	-8.81(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NC2CCOC3=CC=CC=C23

DOS

IR

Vibrations