Geometry & MOs

Info

ID:	135144
PubChem CID:	51823796
Reduced:	N2O3C27H36 (1)
Stoich.:	A2B3C27D36 (1)
Weight, g/mol:	487.187399
ΔH_f, kcal/mol:	-115.83
Dipole, Da:	3.95
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-1-(2-chloro-5-nitrophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)[C@H](C(=O)NC2CCCCC2)N(C(=O)C3=CC=CC=C3O)C(C)(C)C

DOS

IR

Vibrations