Geometry & MOs

Info

ID:	312472
PubChem CID:	126605544
Reduced:	FO2N6H17C18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	561.172515
ΔH_f, kcal/mol:	-29.87
Dipole, Da:	2.54
IP(EA), eV:	-8.85(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[2-[4-chloro-2-(methylamino)benzenecarboximidoyl]-5-fluorosulfanylpyrrolo[2,3-b]pyrazine-7-carbonyl]amino]cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CNC2=NC=C(N=C12)C3=C4C=CC(=CN4C(=N3)CO)F

DOS

IR

Vibrations