Geometry & MOs

Info

ID:	32859
PubChem CID:	7848974
Reduced:	FSN2O5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	402.104956
ΔH_f, kcal/mol:	-201.43
Dipole, Da:	7.07
IP(EA), eV:	-9.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-fluorophenyl)methylsulfanyl]-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)OCC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations