Geometry & MOs

Info

ID:	178408
PubChem CID:	76323976
Reduced:	O3N4H14C20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	447.147744
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	3.15
IP(EA), eV:	-9.4(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-6-yl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=C2C(=O)NC(=O)NC2=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations