Geometry & MOs

Info

ID:	179487
PubChem CID:	76490242
Reduced:	SN2C5H6 (1)
Stoich.:	AB2C5D6 (1)
Weight, g/mol:	469.14382
ΔH_f, kcal/mol:	59.68
Dipole, Da:	2.89
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[1-[4-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

CC=CC1=NSN=C1

DOS

IR

Vibrations