Geometry & MOs

Info

ID:	135226
PubChem CID:	51836388
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	481.1849
ΔH_f, kcal/mol:	-108.55
Dipole, Da:	6.13
IP(EA), eV:	-9.35(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-2-hydroxy-N-[(5-methylfuran-2-yl)methyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C=O)[C@@H]([C@@H](C)C2=CC=CC=C2)C(=O)NC(C)(C)C

DOS

IR

Vibrations