Geometry & MOs

Info

ID:	414927
PubChem CID:	135087899
Reduced:	F2O2N4C15H16 (1)
Stoich.:	A2B2C4D15E16 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-110.66
Dipole, Da:	4.66
IP(EA), eV:	-9.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethylsulfanyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=NN(C=C2)C(F)F)O)CC3=CC=NC=C3

DOS

IR

Vibrations