Geometry & MOs

Info

ID:	135154
PubChem CID:	51825274
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	501.211115
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	2.69
IP(EA), eV:	-9.28(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-2-hydroxy-5-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)NC2CCCCC2)N(C=O)C(C)(C)C

DOS

IR

Vibrations