Geometry & MOs

Info

ID:	165352
PubChem CID:	74536071
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	1.47
Dipole, Da:	5.52
IP(EA), eV:	-8.99(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-(4-methylbenzoyl)-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations