Geometry & MOs

Info

ID:	318929
PubChem CID:	126653759
Reduced:	SN3O3C30H43 (1)
Stoich.:	AB3C3D30E43 (1)
Weight, g/mol:	425.186318
ΔH_f, kcal/mol:	-138.94
Dipole, Da:	4.5
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CN2CCC3=C(C2=O)C(=C(S3)[C@H](C)C4CCC(CC4)N5CC(C5)OC(C)C)C)C

DOS

IR

Vibrations