Geometry & MOs

Info

ID:	443439
PubChem CID:	135259016
Reduced:	SO2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	369.125946
ΔH_f, kcal/mol:	6.73
Dipole, Da:	3.41
IP(EA), eV:	-8.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4Z)-4-(8-methyl-6-oxo-5,8-diazaspiro[3.4]octan-7-ylidene)-2-(thieno[2,3-d]pyrimidin-4-ylamino)pent-2-enal

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=CSC5=NC=N4)CCC3

DOS

IR

Vibrations