Geometry & MOs

Info

ID:	32860
PubChem CID:	7848975
Reduced:	FSN2O4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-164.53
Dipole, Da:	5.05
IP(EA), eV:	-9.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-cyanophenyl)methylsulfanyl]-3-[(2S)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)F)O

DOS

IR

Vibrations