Geometry & MOs

Info

ID:	416637
PubChem CID:	135089895
Reduced:	Cl2O3N4H14C15 (1)
Stoich.:	A2B3C4D14E15 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	4.91
IP(EA), eV:	-9.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1C(CN2C(=CC(=N2)C(=O)NCC3=C(C=CC(=C3)Cl)Cl)C(=O)N1)O

DOS

IR

Vibrations