Geometry & MOs

Info

ID:	56264
PubChem CID:	17422899
Reduced:	N2S2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	314.081518
ΔH_f, kcal/mol:	-75.9
Dipole, Da:	8.15
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoro-2-nitrophenoxy)methyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)CC2=CSC=C2

DOS

IR

Vibrations