Geometry & MOs

Info

ID:	375676
PubChem CID:	134220754
Reduced:	BrClSN2O3H16C18 (1)
Stoich.:	ABCD2E3F16G18 (1)
Weight, g/mol:	286.225643
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	4.38
IP(EA), eV:	-9.4(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(4,4-dimethyl-3-oxopentyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CSC2=C(C(=O)C3=C(C=CC(=C3N2)Br)Cl)C(=O)C(C)C

DOS

IR

Vibrations