Geometry & MOs

Info

ID:	199139
PubChem CID:	79203728
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	318.059362
ΔH_f, kcal/mol:	-194.13
Dipole, Da:	1.89
IP(EA), eV:	-9.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-methoxypropan-2-yl)-5-phenylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CCC(C)O)C

DOS

IR

Vibrations