Geometry & MOs

Info

ID:	30100
PubChem CID:	839929
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	340.992316
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	1.87
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-pyrimidin-4-ylsulfanylethyl]propanamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)CC1=CC=C(C=C1)OC)C2=CC=CO2

DOS

IR

Vibrations