Geometry & MOs

Info

ID:	347661
PubChem CID:	127272527
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-146.24
Dipole, Da:	4.39
IP(EA), eV:	-8.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2CCN(CC2)C(=O)C3=C(C4=C(CC(O4)(C)C)C=C3)O

DOS

IR

Vibrations