Geometry & MOs

Info

ID:	443499
PubChem CID:	135259200
Reduced:	ClSO3N5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	425.188546
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	4.93
IP(EA), eV:	-8.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4Z)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal

Drug info:

PubChemData

Smile

C/C(=C\C(=C/1\C(=O)NC2(N1C=O)CCS(=O)CC2)\C)/NC3=NC=NC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations