Geometry & MOs

Info

ID:	233219
PubChem CID:	89449352
Reduced:	OSN2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	557.191918
ΔH_f, kcal/mol:	-21.47
Dipole, Da:	2.93
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methoxyphenyl)methoxy]phenyl]-6-[4-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]thieno[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C/C=C\1/C2=NCCCN2C(=O)S1

DOS

IR

Vibrations