Geometry & MOs

Info

ID:	143776
PubChem CID:	53260213
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	405.14887
ΔH_f, kcal/mol:	-146.48
Dipole, Da:	7.17
IP(EA), eV:	-8.34(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-fluorophenyl)methyl]-3-[(3R,4S)-3-hydroxyoxan-4-yl]pyrido[3,4-h]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C[C@H](N(C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations