Geometry & MOs

Info

ID:	335674
PubChem CID:	127254536
Reduced:	FSN2O3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	366.132805
ΔH_f, kcal/mol:	-150.3
Dipole, Da:	6.64
IP(EA), eV:	-8.4(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(4-oxoquinazolin-3-yl)ethylcarbamoylamino]benzoate

Drug info:

PubChemData

Smile

CSCC[C@@H](CO)NC(=O)C1=CNC2=C(C1=O)C=CC=C2F

DOS

IR

Vibrations