Geometry & MOs

Info

ID:	186984
PubChem CID:	77511838
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	593.216312
ΔH_f, kcal/mol:	-184.3
Dipole, Da:	2.41
IP(EA), eV:	-8.77(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]pyrazolidin-3-yl]amino]-7-methoxyquinazolin-5-yl]oxyethylamino]propyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)SCC1CN(CC1O)C(=O)OC(C)(C)C

DOS

IR

Vibrations