Geometry & MOs

Info

ID:	28665
PubChem CID:	828846
Reduced:	OSN5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	324.16602
ΔH_f, kcal/mol:	50.97
Dipole, Da:	5.19
IP(EA), eV:	-8.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C=NNC(=O)CC3=CSC(=N3)N

DOS

IR

Vibrations