Geometry & MOs

Info

ID:	188118
PubChem CID:	77668195
Reduced:	SN4O7C28H36 (1)
Stoich.:	AB4C7D28E36 (1)
Weight, g/mol:	190.037842
ΔH_f, kcal/mol:	-223.32
Dipole, Da:	5.27
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-4aH-quinazoline-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(C(CNC1)O)N(C(=O)C(CC(C)C)NC(=O)C2=CC3=C(O2)C=CC(=C3)OC)S(=O)(=O)C4=CC=CC=N4

DOS

IR

Vibrations