Geometry & MOs

Info

ID:	420294
PubChem CID:	135112291
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	344.076553
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	1.66
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC3=CC=NC=C3)CO

DOS

IR

Vibrations