Geometry & MOs

Info

ID:	443471
PubChem CID:	135259135
Reduced:	SO3N7C24H29 (1)
Stoich.:	AB3C7D24E29 (1)
Weight, g/mol:	416.17723
ΔH_f, kcal/mol:	-61.33
Dipole, Da:	3.53
IP(EA), eV:	-8.79(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4Z)-4-(8,8-difluoro-4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pent-2-enal

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)NCCN(C)C)CCCCC3

DOS

IR

Vibrations