Geometry & MOs

Info

ID:	82097
PubChem CID:	49855594
Reduced:	S2O4N5C14H15 (1)
Stoich.:	A2B4C5D14E15 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-23.13
Dipole, Da:	7.77
IP(EA), eV:	-9.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-[4-(5-propan-2-yloxypyridin-2-yl)oxyphenyl]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NS(=O)(=O)C3=CC=CS3)CN1C4=NC=C(C=N4)C(=O)NO

DOS

IR

Vibrations