Geometry & MOs

Info

ID:	325961
PubChem CID:	126685810
Reduced:	O3N7C23H27 (1)
Stoich.:	A3B7C23D27 (1)
Weight, g/mol:	432.136845
ΔH_f, kcal/mol:	-22.5
Dipole, Da:	3.29
IP(EA), eV:	-8.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[5-[3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]phenyl]-1,3-oxazol-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C2=NC=C(O2)C3=CC(=CC=C3)NC4=NC=CC(=N4)N5CCOCC5)C

DOS

IR

Vibrations