Geometry & MOs

Info

ID:	135155
PubChem CID:	51825607
Reduced:	N3O8C25H31 (1)
Stoich.:	A3B8C25D31 (1)
Weight, g/mol:	460.308979
ΔH_f, kcal/mol:	-264.92
Dipole, Da:	8.01
IP(EA), eV:	-9.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-1-(2-methylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CC(C)(C)N([C@H](C1=C(C=C(C=C1O)O)O)C(=O)NC2CCCCC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations