Geometry & MOs

Info

ID:	188706
PubChem CID:	77757866
Reduced:	SF3N3O3H8C14 (1)
Stoich.:	AB3C3D3E8F14 (1)
Weight, g/mol:	358.138953
ΔH_f, kcal/mol:	-171.91
Dipole, Da:	6.85
IP(EA), eV:	-9.05(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-aminoquinazolin-7-yl)methyl]-2-carbamoyl-2-methyl-3-oxopiperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

C=C1C(=NC(=O)N(C1=O)C2=CC3=C(C=C2)SN=C3CO)C(F)(F)F

DOS

IR

Vibrations