Geometry & MOs

Info

ID:	134768
PubChem CID:	51753640
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	449.171749
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	2.54
IP(EA), eV:	-9.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(2-chloro-5-nitrophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(CC1=CC=CO1)[C@H](C2=CC=CC=C2)C(=O)NCCCC

DOS

IR

Vibrations