Geometry & MOs

Info

ID:	236749
PubChem CID:	92714622
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-213.28
Dipole, Da:	4.37
IP(EA), eV:	-9.26(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C

DOS

IR

Vibrations