Geometry & MOs

Info

ID:	134702
PubChem CID:	51740956
Reduced:	N2O3C33H40 (1)
Stoich.:	A2B3C33D40 (1)
Weight, g/mol:	465.189986
ΔH_f, kcal/mol:	-73.25
Dipole, Da:	2.2
IP(EA), eV:	-9.35(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCC(CC)[C@H](C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4

DOS

IR

Vibrations