Geometry & MOs

Info

ID:	32857
PubChem CID:	7848937
Reduced:	FSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-216.53
Dipole, Da:	5.81
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-[(1S)-1-phenylethyl]sulfanylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations