Geometry & MOs

Info

ID:	42901
PubChem CID:	8150162
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-129.35
Dipole, Da:	4.58
IP(EA), eV:	-9.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)N(C)CC3=CC(=CC=C3)OC)C

DOS

IR

Vibrations