Geometry & MOs

Info

ID:	206978
PubChem CID:	80327997
Reduced:	BrClSN3O3H11C12 (1)
Stoich.:	ABCD3E3F11G12 (1)
Weight, g/mol:	258.230728
ΔH_f, kcal/mol:	-51.76
Dipole, Da:	4.21
IP(EA), eV:	-9.01(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2,2-dimethylheptyl)-4-methoxybutanamide

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)NS(=O)(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations