Geometry & MOs

Info

ID:	42110
PubChem CID:	8149199
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	411.071134
ΔH_f, kcal/mol:	-173.96
Dipole, Da:	4.17
IP(EA), eV:	-9.24(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)NC3=CC=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations