Geometry & MOs

Info

ID:	135156
PubChem CID:	51826062
Reduced:	NOC15H20 (2)
Stoich.:	ABC15D20 (2)
Weight, g/mol:	406.225643
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	7.38
IP(EA), eV:	-9.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-2-(tert-butylamino)-1-(2-hydroxyphenyl)-2-oxoethyl]-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)C#CC2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations