Geometry & MOs

Info

ID:	443430
PubChem CID:	135258982
Reduced:	SO2N6C20H24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	3.56
IP(EA), eV:	-8.72(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2,3-dimethyl-6-oxo-N-(1-propan-2-ylcyclopentyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)hepta-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4CN(C5)SC)CCCCC3

DOS

IR

Vibrations