Geometry & MOs

Info

ID:	158292
PubChem CID:	56463309
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	409.239913
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	4.81
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[[1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NC(=O)C2=C(N=C(S2)CC(C)C)C

DOS

IR

Vibrations