Geometry & MOs

Info

ID:	217555
PubChem CID:	85087996
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	376.214878
ΔH_f, kcal/mol:	-179.97
Dipole, Da:	8.42
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-amino-7-(5-amino-3,3-dimethylpiperidin-1-ium-1-ylidene)-1-cyclopropyl-6-fluoro-8-methyl-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1(C(C2C(S1)C(C2=O)NC(=O)C3C4=CC=CC=C4CCO3)C(=O)O)C

DOS

IR

Vibrations