Geometry & MOs

Info

ID:	66412
PubChem CID:	46504529
Reduced:	S2O5N6C29H40 (1)
Stoich.:	A2B5C6D29E40 (1)
Weight, g/mol:	513.135191
ΔH_f, kcal/mol:	-153.23
Dipole, Da:	3.27
IP(EA), eV:	-8.63(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCNC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations