Geometry & MOs

Info

ID:	165350
PubChem CID:	74536069
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-75.72
Dipole, Da:	7.48
IP(EA), eV:	-8.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N'-[3-(4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl)propanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)C2CCC3C(C2)NC(=S)N(C3=O)CC=C

DOS

IR

Vibrations