Geometry & MOs

Info

ID:	135177
PubChem CID:	51829715
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	530.278072
ΔH_f, kcal/mol:	-156.41
Dipole, Da:	4.48
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CC[C@@H]2C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations