Geometry & MOs

Info

ID:	140293
PubChem CID:	52677941
Reduced:	SN5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	382.206542
ΔH_f, kcal/mol:	71.81
Dipole, Da:	6.58
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@H](C)CNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

DOS

IR

Vibrations