Geometry & MOs

Info

ID:	195061
PubChem CID:	78628779
Reduced:	SF2N3O4C15H17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-246.77
Dipole, Da:	2.3
IP(EA), eV:	-9.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl 3-phenylsulfanylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CC1CC(=O)NC(N1)SCC(=O)NC2=C(C=CC=C2F)F

DOS

IR

Vibrations