Geometry & MOs

Info

ID:	134725
PubChem CID:	51745930
Reduced:	SN2O5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	501.283886
ΔH_f, kcal/mol:	-171.07
Dipole, Da:	9.19
IP(EA), eV:	-9.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-ethyl-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pentan-2-yl]-N-(furan-2-ylmethyl)-2-hydroxy-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)[C@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(CC2=CC=CO2)C=O

DOS

IR

Vibrations