Geometry & MOs

Info

ID:	82930
PubChem CID:	49856829
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	5.57
IP(EA), eV:	-9.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CC(=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations