Geometry & MOs

Info

ID:	32841
PubChem CID:	7848862
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	412.084141
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	3.08
IP(EA), eV:	-9.33(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations