Geometry & MOs

Info

ID:	134877
PubChem CID:	51773910
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	489.211115
ΔH_f, kcal/mol:	-96.53
Dipole, Da:	1.58
IP(EA), eV:	-9.52(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-methyl-5-nitro-N-[(1R)-2-oxo-1-(2,4,6-trihydroxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C/C=C\[C@@H](C(=O)NC(C)(C)C)N(C)C=O

DOS

IR

Vibrations