Geometry & MOs

Info

ID:	41164
PubChem CID:	8145386
Reduced:	FSO2N5C18H22 (1)
Stoich.:	ABC2D5E18F22 (1)
Weight, g/mol:	378.12628
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	6.64
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=NN(C(=S)O2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations