Geometry & MOs

Info

ID:	181351
PubChem CID:	76732824
Reduced:	SO2Cl3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	-111.76
Dipole, Da:	3.09
IP(EA), eV:	-9.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-(2,2,4-trimethylpentan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CC(C(C1CCC2=CC(=CC(=C2)Cl)Cl)CCCC3=CC=C(S3)C(=O)OC)Cl

DOS

IR

Vibrations