Geometry & MOs

Info

ID:	134795
PubChem CID:	51757113
Reduced:	N3O4C30H41 (1)
Stoich.:	A3B4C30D41 (1)
Weight, g/mol:	473.208134
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	11.51
IP(EA), eV:	-9.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-4-chloro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2CCCCC2)C(=O)[C@H](CC)C3=CC=CC=C3

DOS

IR

Vibrations