Geometry & MOs

Info

ID:	141089
PubChem CID:	52816403
Reduced:	SN2O4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	3.43
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethoxy)-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(O2)C(=O)NCCCNC(=O)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations