Geometry & MOs

Info

ID:	179761
PubChem CID:	76527302
Reduced:	FO2N6C28H35 (1)
Stoich.:	AB2C6D28E35 (1)
Weight, g/mol:	433.189609
ΔH_f, kcal/mol:	-58.29
Dipole, Da:	6.24
IP(EA), eV:	-8.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-formylpyrrolidin-2-yl)methyl]-N-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2C3CC(CCC3NN2)C(=O)NC4CCCC(C4)(CN5C=C6C=CC(=CC6=N5)F)O

DOS

IR

Vibrations