Geometry & MOs

Info

ID:	443541
PubChem CID:	135259285
Reduced:	SF2O4N5H19C21 (1)
Stoich.:	AB2C4D5E19F21 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-205.31
Dipole, Da:	2.32
IP(EA), eV:	-9.11(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ylamino)-2,3-dimethyl-N-(1-methylcyclohexyl)-6-oxohepta-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)OC)CCC(CC3)(F)F

DOS

IR

Vibrations