Geometry & MOs

Info

ID:	135142
PubChem CID:	51823006
Reduced:	O2N3C28H41 (1)
Stoich.:	A2B3C28D41 (1)
Weight, g/mol:	444.335193
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	4.1
IP(EA), eV:	-8.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-1-cyclohexyl-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)N(C)C)N(C(=O)[C@@H](CC)C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations