Geometry & MOs

Info

ID:	82526
PubChem CID:	49856138
Reduced:	ClFO2N3H19C28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	571.167412
ΔH_f, kcal/mol:	14.63
Dipole, Da:	2.6
IP(EA), eV:	-8.76(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(C=C5)C=O)Cl

DOS

IR

Vibrations