Geometry & MOs

Info

ID:	140292
PubChem CID:	52677556
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	381.198717
ΔH_f, kcal/mol:	-179.64
Dipole, Da:	5.94
IP(EA), eV:	-8.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CN(C)C[C@H]3CCCO3

DOS

IR

Vibrations