Geometry & MOs

Info

ID:	243682
PubChem CID:	99233971
Reduced:	N3O5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	449.153991
ΔH_f, kcal/mol:	-234.55
Dipole, Da:	3.38
IP(EA), eV:	-9.37(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)CCC3=O

DOS

IR

Vibrations