Geometry & MOs

Info

ID:	66392
PubChem CID:	46504493
Reduced:	S2N5O6C27H29 (1)
Stoich.:	A2B5C6D27E29 (1)
Weight, g/mol:	645.171576
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	5.98
IP(EA), eV:	-8.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=CC=C3OC)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations