Geometry & MOs

Info

ID:	66403
PubChem CID:	46504510
Reduced:	S2N5O5C26H33 (1)
Stoich.:	A2B5C5D26E33 (1)
Weight, g/mol:	561.207962
ΔH_f, kcal/mol:	-141.25
Dipole, Da:	5.34
IP(EA), eV:	-8.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations