Geometry & MOs

Info

ID:	32875
PubChem CID:	7849054
Reduced:	FSN2O6C17H23 (1)
Stoich.:	ABC2D6E17F23 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-280.94
Dipole, Da:	5.24
IP(EA), eV:	-9.61(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-1-cyanoethyl]sulfanyl-3-[(2S)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations