Geometry & MOs

Info

ID:	43023
PubChem CID:	10317809
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	383.094916
ΔH_f, kcal/mol:	6.88
Dipole, Da:	6.2
IP(EA), eV:	-8.81(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-chloro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C=N2)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations