Geometry & MOs

Info

ID:	184258
PubChem CID:	77136179
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	258.176585
ΔH_f, kcal/mol:	-67.14
Dipole, Da:	10.23
IP(EA), eV:	-9.19(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylamino)-3-methyl-1-thiomorpholin-4-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)COC1=C(C=C(C(=C1)Cl)CNC2=CC3=NC(=O)N=C3C=C2)OC

DOS

IR

Vibrations