Geometry & MOs

Info

ID:	139462
PubChem CID:	52535482
Reduced:	FN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	1.65
IP(EA), eV:	-8.56(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@H]1CCCO1)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4F

DOS

IR

Vibrations