Geometry & MOs

Info

ID:	133541
PubChem CID:	51544691
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	395.112605
ΔH_f, kcal/mol:	-85.57
Dipole, Da:	3.35
IP(EA), eV:	-9.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC[C@H]1CCCO1)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations