Geometry & MOs

Info

ID:	281609
PubChem CID:	103914115
Reduced:	Cl2O2N3C13H17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	251.119129
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	4.64
IP(EA), eV:	-9.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,1-dioxothian-3-yl)amino]-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(=O)NC1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations