Geometry & MOs

Info

ID:	168355
PubChem CID:	74957006
Reduced:	S3N4O5C26H30 (1)
Stoich.:	A3B4C5D26E30 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	6.11
IP(EA), eV:	-8.73(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-8-methylidenequinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)CNS(=O)(=O)C3=CSC=C3)NC(=O)C4=CC5=CC=CC=C5S4

DOS

IR

Vibrations