Geometry & MOs

Info

ID:	134717
PubChem CID:	51744102
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	522.175064
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	2.89
IP(EA), eV:	-9.29(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)N(CC2=CC=CO2)[C@@H](/C=C\C)C(=O)NC(C)(C)C

DOS

IR

Vibrations