Geometry & MOs

Info

ID:	37681
PubChem CID:	8023088
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-194.78
Dipole, Da:	2.0
IP(EA), eV:	-9.41(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C

DOS

IR

Vibrations