Geometry & MOs

Info

ID:	177765
PubChem CID:	76227877
Reduced:	O2F3N4C24H25 (1)
Stoich.:	A2B3C4D24E25 (1)
Weight, g/mol:	434.152495
ΔH_f, kcal/mol:	-169.29
Dipole, Da:	4.79
IP(EA), eV:	-9.04(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-oxo-4aH-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations