Geometry & MOs

Info

ID:	134797
PubChem CID:	51757585
Reduced:	N2O3C13H20 (2)
Stoich.:	A2B3C13D20 (2)
Weight, g/mol:	502.18311
ΔH_f, kcal/mol:	-126.6
Dipole, Da:	4.17
IP(EA), eV:	-9.73(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(4-bromophenyl)acetyl]-hexylamino]-N-tert-butyl-2-(4-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](/C=C\C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations