Geometry & MOs

Info

ID:	134885
PubChem CID:	51774940
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	424.272593
ΔH_f, kcal/mol:	-112.03
Dipole, Da:	2.96
IP(EA), eV:	-9.23(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-methyl-N-[(2S,3S)-1-oxo-3-phenyl-1-(2,4,4-trimethylpentan-2-ylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations