Geometry & MOs

Info

ID:	236750
PubChem CID:	92714623
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-13.2
Dipole, Da:	5.6
IP(EA), eV:	-9.16(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=CC=CC(=C2)C)C3=C4C(=C(SC4=NC=N3)C(=O)O)C

DOS

IR

Vibrations