Geometry & MOs

Info

ID:	32854
PubChem CID:	7848923
Reduced:	NSF2O5H15C17 (1)
Stoich.:	ABC2D5E15F17 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-230.91
Dipole, Da:	2.78
IP(EA), eV:	-9.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)OCC(=O)C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations