Geometry & MOs

Info

ID:	414294
PubChem CID:	135087250
Reduced:	SN2O4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	360.12407
ΔH_f, kcal/mol:	-119.24
Dipole, Da:	7.67
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methylphenoxy)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)N4CCOCC4)C5=C1C=CS5

DOS

IR

Vibrations