Geometry & MOs

Info

ID:	302090
PubChem CID:	124349481
Reduced:	ClSN2O5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	430.167477
ΔH_f, kcal/mol:	-147.14
Dipole, Da:	4.07
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dimethoxyphenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CC4=CC=CC=C4OC)Cl

DOS

IR

Vibrations