Geometry & MOs

Info

ID:	445615
PubChem CID:	135268547
Reduced:	FSO2N3C27H30 (1)
Stoich.:	ABC2D3E27F30 (1)
Weight, g/mol:	479.152255
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	3.27
IP(EA), eV:	-8.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)-2-phosphanylphenyl]-(3-methoxypyrazin-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC(=C)S/C=C(\C)/C(C)O)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)F

DOS

IR

Vibrations