Geometry & MOs

Info

ID:	203358
PubChem CID:	79819743
Reduced:	SN3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	285.122107
ΔH_f, kcal/mol:	34.3
Dipole, Da:	4.48
IP(EA), eV:	-9.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-ylsulfanyl-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CC(CC2=CN=CC=C2)NC

DOS

IR

Vibrations