Geometry & MOs

Info

ID:	49879
PubChem CID:	11534095
Reduced:	BrO4N5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	552.171038
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	4.3
IP(EA), eV:	-8.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[[4-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)C2=CC3=C(O2)C=CC(=C3)NC(=O)C(=C)Br

DOS

IR

Vibrations