Geometry & MOs

Info

ID:	426589
PubChem CID:	135151068
Reduced:	SN2O2F6H12C16 (1)
Stoich.:	AB2C2D6E12F16 (1)
Weight, g/mol:	472.183003
ΔH_f, kcal/mol:	-299.91
Dipole, Da:	3.38
IP(EA), eV:	-9.79(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,6-N-dibenzyl-2-chloro-4-N-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazoline-4,6-diamine

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC(=C(S2)C(=O)N(C3=CC=CC=C3)OC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations