Geometry & MOs

Info

ID:	236863
PubChem CID:	92715135
Reduced:	S2O3N6C21H32 (1)
Stoich.:	A2B3C6D21E32 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-66.92
Dipole, Da:	5.14
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2N)S[C@H](C)C(=O)NC3CCCCC3

DOS

IR

Vibrations