Geometry & MOs

Info

ID:	298447
PubChem CID:	117649576
Reduced:	S2N10O11H22C27 (1)
Stoich.:	A2B10C11D22E27 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-229.33
Dipole, Da:	3.55
IP(EA), eV:	-9.26(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-methoxy-4-methylphenyl)-4-methyl-2-(propan-2-ylamino)pentan-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N)NN=C2C(=CC3=C(C=CC(=C3C2=O)NC4=NC(=O)N=C(N4)NC5=CC=CC=C5OC=O)S(=O)(=O)ON)NS(=O)(=O)O

DOS

IR

Vibrations