Geometry & MOs

Info

ID:	344153
PubChem CID:	127267329
Reduced:	ClFSN2O2C12H14 (1)
Stoich.:	ABCD2E2F12G14 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-114.91
Dipole, Da:	3.73
IP(EA), eV:	-8.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pentanamide

Drug info:

PubChemData

Smile

C1CSCCC1(CO)NC(=O)C2=C(C(=NC=C2)F)Cl

DOS

IR

Vibrations