Geometry & MOs

Info

ID:	139310
PubChem CID:	52507988
Reduced:	FO2N3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-152.87
Dipole, Da:	5.72
IP(EA), eV:	-9.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2,4-dioxo-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]1CC[C@H](N(C1)CC(=O)N[C@@H](C)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations