Geometry & MOs

Info

ID:	333176
PubChem CID:	127251724
Reduced:	FSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	6.86
IP(EA), eV:	-9.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-aminopyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-3-(4-methoxy-N-methylanilino)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCOC(C2)C3=NC4=NC=NC(=C4C=C3)N)F

DOS

IR

Vibrations