Geometry & MOs

Info

ID:	135197
PubChem CID:	51833430
Reduced:	ClFN2O2C23H28 (1)
Stoich.:	ABC2D2E23F28 (1)
Weight, g/mol:	483.273321
ΔH_f, kcal/mol:	-124.15
Dipole, Da:	2.81
IP(EA), eV:	-9.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-1-(3-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations