Geometry & MOs

Info

ID:	234796
PubChem CID:	92303511
Reduced:	N2O2H24C25 (1)
Stoich.:	A2B2C24D25 (1)
Weight, g/mol:	372.094392
ΔH_f, kcal/mol:	-3.66
Dipole, Da:	4.0
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CC(=O)NCC2=CC=CC=C2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations