Geometry & MOs

Info

ID:	173938
PubChem CID:	75703009
Reduced:	N2O5C27H40 (1)
Stoich.:	A2B5C27D40 (1)
Weight, g/mol:	457.257671
ΔH_f, kcal/mol:	-190.82
Dipole, Da:	3.62
IP(EA), eV:	-8.26(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)N(CC1=CC=CO1)C(C2=CC(=C(C=C2)OC)OC)C(=O)NCCCC

DOS

IR

Vibrations